Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy-
TL;DR: Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy- (CAS 440347-85-3) 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.
(5-bromo-4-cyano-2-methoxyphenyl) acetate
Also Known As: 5-bromo-4-cyano-2-methoxyphenyl acetate, (5-bromo-4-cyano-2-methoxyphenyl) acetate, 5-bromo-4-cyano-2-methoxyphenylacetate, (5-bromo-4-cyano-2-methoxy-phenyl) Acetate, Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy-
| Molecular Formula | C10H8BrNO3 |
|---|---|
| Molecular Weight | 268.97 g/mol |
| LogP | 2.25468 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.96875 |
| Heavy Atoms | 15 |
| Complexity | 437.02902 |
Chemical Identifiers
| CAS Number | 440347-85-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C(=C1)Br)C#N)OC |
Product Overview
Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy- (CAS 440347-85-3), with molecular formula C10H8BrNO3 and molecular weight 268.97 g/mol. IUPAC: (5-bromo-4-cyano-2-methoxyphenyl) acetate.
Chemical Property Profile of Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy-
Property Insights of Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy-
The XLogP value of 2.25468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy-. With a topological polar surface area (TPSA) of 59.32 Ų, Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy- 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 Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy-?
The CAS number of Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy- is 440347-85-3.
What is the molecular formula of Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy-?
The molecular formula of Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy- is C10H8BrNO3.
What is the molecular weight of Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy-?
The molecular weight of Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy- is 268.97 g/mol.
Where can I buy Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy-?
You can request a quote for Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(acetyloxy)-2-bromo-5-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.