rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate
TL;DR: rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate (CAS 3205-35-4) 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 (1R,2R)-cyclohexane-1,2-dicarboxylate
Also Known As: (1R,2R)-Dimethyl cyclohexane-1,2-dicarboxylate, dimethyl (1R,2R)-cyclohexane-1,2-dicarboxylate, Dimethyl trans-1,2-Cyclohexanedicarboxylate, trans-Dimethyl cyclohexane-1,2-dicarboxylate, Lurasidone Impurity 120
| 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 | 3205-35-4 |
|---|---|
| SMILES | COC(=O)[C@@H]1CCCC[C@H]1C(=O)OC |
Product Overview
rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate (CAS 3205-35-4), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: trans-dimethyl (1R,2R)-cyclohexane-1,2-dicarboxylate.
Chemical Property Profile of rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate
Property Insights of rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate
The XLogP value of 1.1388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-1,2-Dimethyl (1R,2R)-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 rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate?
The CAS number of rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate is 3205-35-4.
What is the molecular formula of rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate?
The molecular formula of rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate is C10H16O4.
What is the molecular weight of rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate?
The molecular weight of rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate is 200.10 g/mol.
Where can I buy rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate?
You can request a quote for rel-1,2-Dimethyl (1R,2R)-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 rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for rel-1,2-Dimethyl (1R,2R)-1,2-cyclohexanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.