2-Bromo-4-cyano-6-methoxyphenyl benzoate
TL;DR: 2-Bromo-4-cyano-6-methoxyphenyl benzoate (CAS 700858-32-8) is a chemical compound with molecular formula C15H10BrNO3 and molecular weight 330.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-cyano-6-methoxyphenyl) benzoate
Also Known As: 2-bromo-4-cyano-6-methoxyphenyl benzoate, (2-bromo-4-cyano-6-methoxyphenyl) benzoate, 2-bromo-4-cyano-6-methoxyphenylbenzoate, (2-bromo-4-cyano-6-methoxy-phenyl) benzoate
| Molecular Formula | C15H10BrNO3 |
|---|---|
| Molecular Weight | 330.98 g/mol |
| LogP | 3.54858 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.9844 |
| Heavy Atoms | 20 |
| Complexity | 677.50824 |
Chemical Identifiers
| CAS Number | 700858-32-8 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC=CC=C2 |
Product Overview
2-Bromo-4-cyano-6-methoxyphenyl benzoate (CAS 700858-32-8), with molecular formula C15H10BrNO3 and molecular weight 330.98 g/mol. IUPAC: (2-bromo-4-cyano-6-methoxyphenyl) benzoate.
Chemical Property Profile of 2-Bromo-4-cyano-6-methoxyphenyl benzoate
Property Insights of 2-Bromo-4-cyano-6-methoxyphenyl benzoate
The XLogP value of 3.54858 indicates that 2-Bromo-4-cyano-6-methoxyphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, 2-Bromo-4-cyano-6-methoxyphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-cyano-6-methoxyphenyl benzoate 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 2-Bromo-4-cyano-6-methoxyphenyl benzoate?
The CAS number of 2-Bromo-4-cyano-6-methoxyphenyl benzoate is 700858-32-8.
What is the molecular formula of 2-Bromo-4-cyano-6-methoxyphenyl benzoate?
The molecular formula of 2-Bromo-4-cyano-6-methoxyphenyl benzoate is C15H10BrNO3.
What is the molecular weight of 2-Bromo-4-cyano-6-methoxyphenyl benzoate?
The molecular weight of 2-Bromo-4-cyano-6-methoxyphenyl benzoate is 330.98 g/mol.
Where can I buy 2-Bromo-4-cyano-6-methoxyphenyl benzoate?
You can request a quote for 2-Bromo-4-cyano-6-methoxyphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-cyano-6-methoxyphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-cyano-6-methoxyphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.