1,3-Cyclohexanedicarboxylic acid, cis-
TL;DR: 1,3-Cyclohexanedicarboxylic acid, cis- (CAS 2305-31-9) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(1R,3S)-cyclohexane-1,3-dicarboxylic acid
Also Known As: cis-1,3-Cyclohexanedicarboxylic Acid, cis-Cyclohexane-1,3-dicarboxylic acid, (1R,3S)-cyclohexane-1,3-dicarboxylic acid, 1,3-Cyclohexanedicarboxylic acid, (1R,3S)-rel-, (1S,3R)-cyclohexane-1,3-dicarboxylic acid
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.962 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 179.23454 |
Chemical Identifiers
| CAS Number | 2305-31-9 |
|---|---|
| SMILES | C1C[C@H](C[C@H](C1)C(=O)O)C(=O)O |
Product Overview
1,3-Cyclohexanedicarboxylic acid, cis- (CAS 2305-31-9), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: cis-(1R,3S)-cyclohexane-1,3-dicarboxylic acid.
Chemical Property Profile of 1,3-Cyclohexanedicarboxylic acid, cis-
Property Insights of 1,3-Cyclohexanedicarboxylic acid, cis-
The XLogP value of 0.962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedicarboxylic acid, cis-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Cyclohexanedicarboxylic acid, cis-. Following Lipinski's Rule of Five, 1,3-Cyclohexanedicarboxylic acid, cis- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Cyclohexanedicarboxylic acid, cis-?
The CAS number of 1,3-Cyclohexanedicarboxylic acid, cis- is 2305-31-9.
What is the molecular formula of 1,3-Cyclohexanedicarboxylic acid, cis-?
The molecular formula of 1,3-Cyclohexanedicarboxylic acid, cis- is C8H12O4.
What is the molecular weight of 1,3-Cyclohexanedicarboxylic acid, cis-?
The molecular weight of 1,3-Cyclohexanedicarboxylic acid, cis- is 172.07 g/mol.
Where can I buy 1,3-Cyclohexanedicarboxylic acid, cis-?
You can request a quote for 1,3-Cyclohexanedicarboxylic acid, cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexanedicarboxylic acid, cis-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedicarboxylic acid, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.