Methyl 1-bromocyclohexanecarboxylate
TL;DR: Methyl 1-bromocyclohexanecarboxylate (CAS 3196-23-4) is a chemical compound with molecular formula C8H13BrO2 and molecular weight 220.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-bromocyclohexane-1-carboxylate
Also Known As: Methyl 1-bromocyclohexanecarboxylate, Pheniodol, methyl 1-bromocyclohexane-1-carboxylate, methyl 1-bromocyclohexanoate, Methyl1-bromocyclohexanecarboxylate
| Molecular Formula | C8H13BrO2 |
|---|---|
| Molecular Weight | 220.01 g/mol |
| LogP | 2.2572 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.00989 |
| Heavy Atoms | 11 |
| Complexity | 150.17105 |
Chemical Identifiers
| CAS Number | 3196-23-4 |
|---|---|
| SMILES | COC(=O)C1(CCCCC1)Br |
Product Overview
Methyl 1-bromocyclohexanecarboxylate (CAS 3196-23-4), with molecular formula C8H13BrO2 and molecular weight 220.01 g/mol. IUPAC: methyl 1-bromocyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 1-bromocyclohexanecarboxylate
Property Insights of Methyl 1-bromocyclohexanecarboxylate
The XLogP value of 2.2572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-bromocyclohexanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 1-bromocyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-bromocyclohexanecarboxylate has 0 hydrogen bond donor(s) and 2 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 Methyl 1-bromocyclohexanecarboxylate?
The CAS number of Methyl 1-bromocyclohexanecarboxylate is 3196-23-4.
What is the molecular formula of Methyl 1-bromocyclohexanecarboxylate?
The molecular formula of Methyl 1-bromocyclohexanecarboxylate is C8H13BrO2.
What is the molecular weight of Methyl 1-bromocyclohexanecarboxylate?
The molecular weight of Methyl 1-bromocyclohexanecarboxylate is 220.01 g/mol.
Where can I buy Methyl 1-bromocyclohexanecarboxylate?
You can request a quote for Methyl 1-bromocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-bromocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-bromocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.