(1R,2R)-rel-1,2-环己烷二甲酸
TL;DR: (1R,2R)-rel-1,2-环己烷二甲酸 (CAS 21963-41-7) 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.
(1R,2R)-rel-1,2-环己烷二甲酸
trans-(1S,2S)-cyclohexane-1,2-dicarboxylic acid
Also Known As: (1S,2S)-cyclohexane-1,2-dicarboxylic acid, (1S,2S)-1,2-Cyclohexanedicarboxylic Acid, trans-1,2-Cyclohexanedicarboxylic acid, trans-Cyclohexane-1,2-dicarboxylic 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 | 21963-41-7 |
|---|---|
| SMILES | C1CC[C@@H]([C@H](C1)C(=O)O)C(=O)O |
| InChIKey | QSAWQNUELGIYBC-WDSKDSINSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1R,2R)-rel-1,2-环己烷二甲酸 (CAS 21963-41-7), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: trans-(1S,2S)-cyclohexane-1,2-dicarboxylic acid.
Chemical Property Profile of (1R,2R)-rel-1,2-环己烷二甲酸
Property Insights of (1R,2R)-rel-1,2-环己烷二甲酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2R)-rel-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 (1R,2R)-rel-1,2-环己烷二甲酸. Following Lipinski's Rule of Five, (1R,2R)-rel-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 (1R,2R)-rel-1,2-环己烷二甲酸?
The CAS number of (1R,2R)-rel-1,2-环己烷二甲酸 is 21963-41-7.
What is the molecular formula of (1R,2R)-rel-1,2-环己烷二甲酸?
The molecular formula of (1R,2R)-rel-1,2-环己烷二甲酸 is C8H12O4.
What is the molecular weight of (1R,2R)-rel-1,2-环己烷二甲酸?
The molecular weight of (1R,2R)-rel-1,2-环己烷二甲酸 is 172.07 g/mol.
Where can I buy (1R,2R)-rel-1,2-环己烷二甲酸?
You can request a quote for (1R,2R)-rel-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 (1R,2R)-rel-1,2-环己烷二甲酸?
Yes, KEHONG BIO provides custom synthesis services for (1R,2R)-rel-1,2-环己烷二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.