cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate
TL;DR: cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate (CAS 3586-84-3) is a chemical compound with molecular formula C14H15O3- and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate
Also Known As: (1S,2R)-2-benzoylcyclohexane-1-carboxylate
| Molecular Formula | C14H15O3- |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.4256 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10211 |
| Heavy Atoms | 17 |
| Complexity | 410.73532 |
Chemical Identifiers
| CAS Number | 3586-84-3 |
|---|---|
| SMILES | C1CC[C@@H]([C@@H](C1)C(=O)C2=CC=CC=C2)C(=O)[O-] |
Product Overview
cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate (CAS 3586-84-3), with molecular formula C14H15O3- and molecular weight 231.10 g/mol. IUPAC: cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate.
Chemical Property Profile of cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate
Property Insights of cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate
The XLogP value of 1.4256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate. With a topological polar surface area (TPSA) of 57.2 Ų, cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate has 0 hydrogen bond donor(s) and 3 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 cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate?
The CAS number of cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate is 3586-84-3.
What is the molecular formula of cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate?
The molecular formula of cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate is C14H15O3-.
What is the molecular weight of cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate?
The molecular weight of cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate is 231.10 g/mol.
Where can I buy cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate?
You can request a quote for cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for cis-(1S,2R)-2-benzoylcyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.