Dimethyl trans-1,2-Cyclohexanedicarboxylate
TL;DR: Dimethyl trans-1,2-Cyclohexanedicarboxylate (CAS 31982-90-8) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-dimethyl (1S,2S)-cyclohexane-1,2-dicarboxylate
Also Known As: dimethylcyclohexane-1,2-dicarboxylate, Dimethyl trans-1,2-Cyclohexanedicarboxylate, Dimethyl (S,S)-1,2-cyclohexanedicarboxylate, trans-Dimethyl cyclohexane-1,2-dicarboxylate, dimethyl (1S,2S)-cyclohexane-1,2-dicarboxylate
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.1388 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 200.16188 |
Chemical Identifiers
| CAS Number | 31982-90-8 |
|---|---|
| SMILES | COC(=O)[C@H]1CCCC[C@@H]1C(=O)OC |
Product Overview
Dimethyl trans-1,2-Cyclohexanedicarboxylate (CAS 31982-90-8), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: trans-dimethyl (1S,2S)-cyclohexane-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl trans-1,2-Cyclohexanedicarboxylate
Property Insights of Dimethyl trans-1,2-Cyclohexanedicarboxylate
The XLogP value of 1.1388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl trans-1,2-Cyclohexanedicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl trans-1,2-Cyclohexanedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl trans-1,2-Cyclohexanedicarboxylate has 0 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 Dimethyl trans-1,2-Cyclohexanedicarboxylate?
The CAS number of Dimethyl trans-1,2-Cyclohexanedicarboxylate is 31982-90-8.
What is the molecular formula of Dimethyl trans-1,2-Cyclohexanedicarboxylate?
The molecular formula of Dimethyl trans-1,2-Cyclohexanedicarboxylate is C10H16O4.
What is the molecular weight of Dimethyl trans-1,2-Cyclohexanedicarboxylate?
The molecular weight of Dimethyl trans-1,2-Cyclohexanedicarboxylate is 200.10 g/mol.
Where can I buy Dimethyl trans-1,2-Cyclohexanedicarboxylate?
You can request a quote for Dimethyl trans-1,2-Cyclohexanedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl trans-1,2-Cyclohexanedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl trans-1,2-Cyclohexanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.