1,2-环己烷二甲酸
TL;DR: 1,2-环己烷二甲酸 (CAS 1687-30-5) 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.
1,2-环己烷二甲酸
cyclohexane-1,2-dicarboxylic acid
Also Known As: cyclohexane-1,2-dicarboxylic acid, 1,2-Cyclohexanedicarboxylic acid, HEXAHYDROPHTHALIC ACID, cis-Hexahydrophthalic acid, Hexahydroorthophthalic acid
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 1687-30-5 |
|---|---|
| SMILES | C1CCC(C(C1)C(=O)O)C(=O)O |
| InChIKey | QSAWQNUELGIYBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-环己烷二甲酸 (CAS 1687-30-5), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: cyclohexane-1,2-dicarboxylic acid.
Chemical Property Profile of 1,2-环己烷二甲酸
Property Insights of 1,2-环己烷二甲酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-环己烷二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-环己烷二甲酸. Following Lipinski's Rule of Five, 1,2-环己烷二甲酸 has 2 hydrogen bond donor(s) and 4 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 1,2-环己烷二甲酸?
The CAS number of 1,2-环己烷二甲酸 is 1687-30-5.
What is the molecular formula of 1,2-环己烷二甲酸?
The molecular formula of 1,2-环己烷二甲酸 is C8H12O4.
What is the molecular weight of 1,2-环己烷二甲酸?
The molecular weight of 1,2-环己烷二甲酸 is 172.07 g/mol.
Where can I buy 1,2-环己烷二甲酸?
You can request a quote for 1,2-环己烷二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-环己烷二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1,2-环己烷二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.