Cyclohexyl 4-bromobenzoate
TL;DR: Cyclohexyl 4-bromobenzoate (CAS 143675-91-6) 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 4-bromobenzoate
Also Known As: Cyclohexyl 4-bromobenzoate, Benzoic acid, 4-bromo-, cyclohexyl ester, Cyclohexyl 4-bromobenzoate #, 4-Bromobenzoic acid, cyclohexyl ester, Benzoic acid,4-bromo-,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 | 228.0 |
Chemical Identifiers
| CAS Number | 143675-91-6 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)C2=CC=C(C=C2)Br |
| InChIKey | XCSPVCCMBFLCQT-UHFFFAOYSA-N |
Product Overview
Cyclohexyl 4-bromobenzoate (CAS 143675-91-6), with molecular formula C13H15BrO2 and molecular weight 282.03 g/mol. IUPAC: cyclohexyl 4-bromobenzoate.
Chemical Property Profile of Cyclohexyl 4-bromobenzoate
Property Insights of Cyclohexyl 4-bromobenzoate
The XLogP value of 4.3 indicates that Cyclohexyl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl 4-bromobenzoate 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 Cyclohexyl 4-bromobenzoate?
The CAS number of Cyclohexyl 4-bromobenzoate is 143675-91-6.
What is the molecular formula of Cyclohexyl 4-bromobenzoate?
The molecular formula of Cyclohexyl 4-bromobenzoate is C13H15BrO2.
What is the molecular weight of Cyclohexyl 4-bromobenzoate?
The molecular weight of Cyclohexyl 4-bromobenzoate is 282.03 g/mol.
Where can I buy Cyclohexyl 4-bromobenzoate?
You can request a quote for Cyclohexyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.