CompoundList
Sign in
Carboxylic acids and anhydrides

Orb1703652

Formula C32H40CaCl2O6Molar mass 631.65 g/molEC 251-232-6
Get quotes Safety data
Orb1703652 chemical structure, C32H40CaCl2O6
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C32H40CaCl2O6
Molar mass
631.65 g/mol
EC number
251-232-6
HS code
291830
Category
Carboxylic acids and anhydrides

What is Orb1703652?

Plain description, key identifiers and synonyms

Orb1703652 is a chemical substance with the molecular formula C32H40CaCl2O6 and a molar mass of 631.65 g/mol. The IUPAC name is calcium, bis(4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoic acid), hydride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
calcium, bis(4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoic acid), hydride
EC number
251-232-6
Molecular formula
C32H40CaCl2O6
InChIKey
AFCNTBNVWPTWHW-UHFFFAOYSA-N
InChI
InChI=1S/2C16H19ClO3.Ca.2H/c2*17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11;;;/h2*6-7,10-11H,1-5,8-9H2,(H,19,20);;;/q;;+2;2*-1
SMILES (canonical and isomeric)
[H-].[H-].C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)O)Cl.C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)O)Cl.[Ca+2]

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
631.65 g/molcalc.
Exact mass
630.1828 Dacalc.
LogP (octanol/water)
8.71calc.
Topological polar surface area
108.7 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
10calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
5calc.
Lipinski rule of five
Fails (2 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(C2CCCCC2)cc1

c1ccc(C2CCCCC2)cc1

2 rings, 12 atoms, the Cyclohexylbenzene ring system.

4,255 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.

Orb1703652 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 Orb1703652 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Orb1703652 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Orb1703652 is traded under.

HS 2918.30Indicative HS code

Carboxylic acids with aldehyde or ketone function but without other oxygen function…

World exports in 2024
$813M
−39.8% vs 2023, imports $1.23B
2019 to 2024
Top exporters
  1. China43.3%
  2. India * partner reported10.4%
  3. United States6.8%
Top importers
  1. Singapore33.1%
  2. Germany7.2%
  3. Japan6.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb1703652 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1703652, based on the data on this page

What is Orb1703652?

Orb1703652 is a chemical substance with the molecular formula C32H40CaCl2O6 and a molar mass of 631.65 g/mol. The IUPAC name is calcium, bis(4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoic acid), hydride.

What is the molecular formula and weight of Orb1703652?

The molecular formula of Orb1703652 is C32H40CaCl2O6 and its molar mass is 631.65 g/mol.

Is Orb1703652 hazardous?

No GHS hazard classification for Orb1703652 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 Orb1703652?

Orb1703652 is usually classified under HS code 291830 (Carboxylic acids with aldehyde or ketone function but without other oxygen function…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1703652?

Post a free request on CompoundList and suppliers of Orb1703652 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1703652?

Suppliers quote Orb1703652 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 Orb1703652

Get quotes for Orb1703652

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Orb1703652
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 Orb1703652 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/orb1703652-cid-176418448" title="Orb1703652 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 Carboxylic acids and anhydrides or HS code 291830

Price on request
Free quotes, contact stays private
Get quotes