CompoundList
Sign in
Heterocyclic building blocks

Sbb002918

Also known as 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid, 3-(4-propan-2-yloxyphenyl)-3-(tetrazol-1-yl)propanoic acid, 3-(4-Isopropoxyphenyl)-3-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid

CAS 696649-41-9Formula C13H16N4O3Molar mass 276.30 g/mol
Get quotes Safety data
Sbb002918 chemical structure, C13H16N4O3, CAS 696649-41-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
696649-41-9
Formula
C13H16N4O3
Molar mass
276.30 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Sbb002918?

Plain description, key identifiers and synonyms

Sbb002918 is a chemical substance with the molecular formula C13H16N4O3 and a molar mass of 276.30 g/mol. Its CAS registry number is 696649-41-9. The IUPAC name is 3-(4-propan-2-yloxyphenyl)-3-(tetrazol-1-yl)propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(4-propan-2-yloxyphenyl)-3-(tetrazol-1-yl)propanoic acid
CAS number
696649-41-9 CAS number cross-checked
Molecular formula
C13H16N4O3
MDL number
MFCD04042431
InChIKey
XCZNTVSVPYVPAR-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N4O3/c1-9(2)20-11-5-3-10(4-6-11)12(7-13(18)19)17-8-14-15-16-17/h3-6,8-9,12H,7H2,1-2H3,(H,18,19)
SMILES (canonical and isomeric)
CC(C)OC1=CC=C(C=C1)C(CC(=O)O)N2C=NN=N2

Synonyms

  • 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid
  • 3-(4-propan-2-yloxyphenyl)-3-(tetrazol-1-yl)propanoic acid
  • 3-(4-Isopropoxyphenyl)-3-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid
  • 3-(4-isopropoxyphenyl)-3-(tetrazol-1-yl)propanoic acid
  • 3-[4-(methylethoxy)phenyl]-3-(1,2,3,4-tetraazolyl)propanoic acid
  • 3-[4-(propan-2-yloxy)phenyl]-3-(1H-tetrazol-1-yl)propanoic acid
  • 3-{4-[(Propan-2-yl)oxy]phenyl}-3-(1H-tetrazol-1-yl)propanoic acid
  • 3-(4-Isopropoxyphenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanoic acid
  • 3-[4-(propan-2-yloxy)phenyl]-3-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
276.30 g/molcalc.
Exact mass
276.1222 Dacalc.
LogP (octanol/water)
1.52calc.
Topological polar surface area
90.13 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(Cn2cnnn2)cc1

c1ccc(Cn2cnnn2)cc1

2 rings, 12 atoms, the 1-Benzyl-1H-1,2,3,4-tetrazole ring system.

66 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Sbb002918 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Sbb002918 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Sbb002918 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Sbb002918 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Sbb002918 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sbb002918, based on the data on this page

What is Sbb002918?

Sbb002918 is a chemical substance with the molecular formula C13H16N4O3 and a molar mass of 276.30 g/mol. Its CAS registry number is 696649-41-9. The IUPAC name is 3-(4-propan-2-yloxyphenyl)-3-(tetrazol-1-yl)propanoic acid.

What is the CAS number of Sbb002918?

The CAS registry number of Sbb002918 is 696649-41-9.

What is the molecular formula and weight of Sbb002918?

The molecular formula of Sbb002918 is C13H16N4O3 and its molar mass is 276.30 g/mol.

What is Sbb002918 used for?

Known uses and roles of Sbb002918 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Sbb002918 hazardous?

No GHS hazard classification for Sbb002918 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Sbb002918?

Sbb002918 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sbb002918?

Post a free request on CompoundList and suppliers of Sbb002918 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Sbb002918?

Suppliers quote Sbb002918 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Sbb002918

Get quotes for Sbb002918

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Sbb002918
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Sbb002918 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/sbb002918-696649-41-9" title="Sbb002918 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic building blocks or HS code 293399

Price on request
Free quotes, contact stays private
Get quotes