3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate
TL;DR: 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate (CAS 312518-87-9) is a chemical compound with molecular formula C16H14BrNO3 and molecular weight 347.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4-bromo-2-methylphenyl)carbamoyl]phenyl] acetate
Also Known As: 3-((4-bromo-2-methylphenyl)carbamoyl)phenyl acetate, 3-[(4-bromo-2-methylanilino)carbonyl]phenyl acetate, 3-[(4-bromo-2-methylphenyl)carbamoyl]phenyl acetate, [3-[(4-bromo-2-methylphenyl)carbamoyl]phenyl] acetate, 3-[N-(4-bromo-2-methylphenyl)carbamoyl]phenyl acetate
| Molecular Formula | C16H14BrNO3 |
|---|---|
| Molecular Weight | 347.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.01572 |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 312518-87-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)C2=CC(=CC=C2)OC(=O)C |
| InChIKey | JXOKPGLJAVDFNO-UHFFFAOYSA-N |
Product Overview
3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate (CAS 312518-87-9), with molecular formula C16H14BrNO3 and molecular weight 347.02 g/mol. IUPAC: [3-[(4-bromo-2-methylphenyl)carbamoyl]phenyl] acetate.
Chemical Property Profile of 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate
Property Insights of 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate
The XLogP value of 3.4 indicates that 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate has 1 hydrogen bond donor(s) and 3 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 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate?
The CAS number of 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate is 312518-87-9.
What is the molecular formula of 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate?
The molecular formula of 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate is C16H14BrNO3.
What is the molecular weight of 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate?
The molecular weight of 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate is 347.02 g/mol.
Where can I buy 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate?
You can request a quote for 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Bromo-2-methylphenyl)carbamoyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.