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Screening compounds

Orb2646315

Also known as (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid

CAS 1608784-68-4Formula C22H20N2O4Molar mass 376.41 g/mol
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Orb2646315 chemical structure, C22H20N2O4, CAS 1608784-68-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1608784-68-4
Formula
C22H20N2O4
Molar mass
376.41 g/mol
HS code
293339
Category
Screening compounds

What is Orb2646315?

Plain description, key identifiers and synonyms

Orb2646315 is a chemical substance with the molecular formula C22H20N2O4 and a molar mass of 376.41 g/mol. Its CAS registry number is 1608784-68-4. The IUPAC name is (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
CAS number
1608784-68-4
Molecular formula
C22H20N2O4
InChIKey
JGLGMFHQGRAHAO-HXUWFJFHSA-N
InChI
InChI=1S/C22H20N2O4/c25-21(24-20(22(26)27)12-16-6-2-1-3-7-16)18-9-4-10-19(13-18)28-15-17-8-5-11-23-14-17/h1-11,13-14,20H,12,15H2,(H,24,25)(H,26,27)/t20-/m1/s1
Canonical SMILES
O=C(NC(Cc1ccccc1)C(=O)O)c1cccc(OCc2cccnc2)c1
Isomeric SMILES
C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C2=CC(=CC=C2)OCC3=CN=CC=C3

Synonyms

  • (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]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
376.41 g/molcalc.
Exact mass
376.1423 Dacalc.
LogP (octanol/water)
3.09calc.
Topological polar surface area
88.52 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
8calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.14calc.
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, O=C(NCCc1ccccc1)c1cccc(OCc2cccnc2)c1

O=C(NCCc1ccccc1)c1cccc(OCc2cccnc2)c1

3 rings, 25 atoms.

No other chemical in our database has 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.

Orb2646315 suppliers

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Orb2646315 price

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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 Orb2646315 is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb2646315 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2646315, based on the data on this page

What is Orb2646315?

Orb2646315 is a chemical substance with the molecular formula C22H20N2O4 and a molar mass of 376.41 g/mol. Its CAS registry number is 1608784-68-4. The IUPAC name is (2R)-3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid.

What is the CAS number of Orb2646315?

The CAS registry number of Orb2646315 is 1608784-68-4.

What is the molecular formula and weight of Orb2646315?

The molecular formula of Orb2646315 is C22H20N2O4 and its molar mass is 376.41 g/mol.

What is Orb2646315 used for?

Known uses and roles of Orb2646315 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb2646315 hazardous?

No GHS hazard classification for Orb2646315 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 Orb2646315?

Orb2646315 is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2646315?

Post a free request on CompoundList and suppliers of Orb2646315 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2646315?

Suppliers quote Orb2646315 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 Orb2646315

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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