2-Bromo-4-cyano-6-methoxyphenyl acetate
TL;DR: 2-Bromo-4-cyano-6-methoxyphenyl acetate (CAS 64248-56-2) is a chemical compound with molecular formula C10H8BrNO3 and molecular weight 268.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-cyano-6-methoxyphenyl) acetate
Also Known As: 2-Bromo-4-cyano-6-methoxyphenyl acetate, Diflufenican, (2-bromo-4-cyano-6-methoxyphenyl) acetate, 3-BROMO-5-METHOXY-4-ACETOXYBENZONITRILE, 4724AE
| Molecular Formula | C10H8BrNO3 |
|---|---|
| Molecular Weight | 268.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.96875 |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 64248-56-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1Br)C#N)OC |
| InChIKey | NNJNHFOLUWPTMF-UHFFFAOYSA-N |
Product Overview
2-Bromo-4-cyano-6-methoxyphenyl acetate (CAS 64248-56-2), with molecular formula C10H8BrNO3 and molecular weight 268.97 g/mol. IUPAC: (2-bromo-4-cyano-6-methoxyphenyl) acetate.
Chemical Property Profile of 2-Bromo-4-cyano-6-methoxyphenyl acetate
Property Insights of 2-Bromo-4-cyano-6-methoxyphenyl acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4-cyano-6-methoxyphenyl acetate. With a topological polar surface area (TPSA) of 59.3 Ų, 2-Bromo-4-cyano-6-methoxyphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-cyano-6-methoxyphenyl acetate 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 acetate?
The CAS number of 2-Bromo-4-cyano-6-methoxyphenyl acetate is 64248-56-2.
What is the molecular formula of 2-Bromo-4-cyano-6-methoxyphenyl acetate?
The molecular formula of 2-Bromo-4-cyano-6-methoxyphenyl acetate is C10H8BrNO3.
What is the molecular weight of 2-Bromo-4-cyano-6-methoxyphenyl acetate?
The molecular weight of 2-Bromo-4-cyano-6-methoxyphenyl acetate is 268.97 g/mol.
Where can I buy 2-Bromo-4-cyano-6-methoxyphenyl acetate?
You can request a quote for 2-Bromo-4-cyano-6-methoxyphenyl acetate 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 acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-cyano-6-methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.