dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate
TL;DR: dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate (CAS 54905-31-6) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-dimethyl (1S,2R)-cyclooctane-1,2-dicarboxylate
Also Known As: dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate, cis-Cyclooctan-1,2-dicarbonsaeure-dimethylester, 1,2-cyclooctanedicarboxylic acid, dimethyl ester, (1R,2S)-, InChI=1/C12H20O4/c1-15-11(13)9-7-5-3-4-6-8-10(9)12(14)16-2/h9-10H,3-8H2,1-2H3/t9-,10
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 54905-31-6 |
|---|---|
| SMILES | COC(=O)[C@@H]1CCCCCC[C@@H]1C(=O)OC |
| InChIKey | OTLDDKCWNSKSAS-AOOOYVTPSA-N |
Product Overview
dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate (CAS 54905-31-6), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: cis-dimethyl (1S,2R)-cyclooctane-1,2-dicarboxylate.
Chemical Property Profile of dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate
Property Insights of dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate 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 (1R,2S)-cyclooctane-1,2-dicarboxylate?
The CAS number of dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate is 54905-31-6.
What is the molecular formula of dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate?
The molecular formula of dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate is C12H20O4.
What is the molecular weight of dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate?
The molecular weight of dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate is 228.14 g/mol.
Where can I buy dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate?
You can request a quote for dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (1R,2S)-cyclooctane-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.