2-Bromobenzoic acid, cyclohexyl ester
TL;DR: 2-Bromobenzoic acid, cyclohexyl ester (CAS 100713-26-6) is a chemical compound with molecular formula C13H15BrO2 and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-bromobenzoate
Also Known As: Cyclohexyl 2-bromobenzoate, cyclohexyl o-bromobenzoate, Cyclohexyl 2-bromobenzoate #, 2-Bromo-benzoic acid cyclohexyl ester, 2-Bromobenzoic acid, cyclohexyl ester
| Molecular Formula | C13H15BrO2 |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.02554 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 100713-26-6 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)C2=CC=CC=C2Br |
| InChIKey | MYWNIVYYPKOTDT-UHFFFAOYSA-N |
Product Overview
2-Bromobenzoic acid, cyclohexyl ester (CAS 100713-26-6), with molecular formula C13H15BrO2 and molecular weight 282.03 g/mol. IUPAC: cyclohexyl 2-bromobenzoate.
Chemical Property Profile of 2-Bromobenzoic acid, cyclohexyl ester
Property Insights of 2-Bromobenzoic acid, cyclohexyl ester
The XLogP value of 4.3 indicates that 2-Bromobenzoic acid, cyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromobenzoic acid, cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromobenzoic acid, cyclohexyl ester 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 2-Bromobenzoic acid, cyclohexyl ester?
The CAS number of 2-Bromobenzoic acid, cyclohexyl ester is 100713-26-6.
What is the molecular formula of 2-Bromobenzoic acid, cyclohexyl ester?
The molecular formula of 2-Bromobenzoic acid, cyclohexyl ester is C13H15BrO2.
What is the molecular weight of 2-Bromobenzoic acid, cyclohexyl ester?
The molecular weight of 2-Bromobenzoic acid, cyclohexyl ester is 282.03 g/mol.
Where can I buy 2-Bromobenzoic acid, cyclohexyl ester?
You can request a quote for 2-Bromobenzoic acid, cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromobenzoic acid, cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromobenzoic acid, cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.