butyl N-(3-acetylphenyl)carbamate
TL;DR: butyl N-(3-acetylphenyl)carbamate (CAS 72531-03-4) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-(3-acetylphenyl)carbamate
Also Known As: butyl N-(3-acetylphenyl)carbamate, N-(3-acetylphenyl)butoxycarboxamide, (3-acetylphenyl)carbamic acid, butyl ester, Cambridge id 5320776, REGID_for_CID_1640925
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 3.2378 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 401.40598 |
Chemical Identifiers
| CAS Number | 72531-03-4 |
|---|---|
| SMILES | CCCCOC(=O)NC1=CC=CC(=C1)C(=O)C |
Product Overview
butyl N-(3-acetylphenyl)carbamate (CAS 72531-03-4), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: butyl N-(3-acetylphenyl)carbamate.
Chemical Property Profile of butyl N-(3-acetylphenyl)carbamate
Property Insights of butyl N-(3-acetylphenyl)carbamate
The XLogP value of 3.2378 indicates that butyl N-(3-acetylphenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, butyl N-(3-acetylphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl N-(3-acetylphenyl)carbamate 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 butyl N-(3-acetylphenyl)carbamate?
The CAS number of butyl N-(3-acetylphenyl)carbamate is 72531-03-4.
What is the molecular formula of butyl N-(3-acetylphenyl)carbamate?
The molecular formula of butyl N-(3-acetylphenyl)carbamate is C13H17NO3.
What is the molecular weight of butyl N-(3-acetylphenyl)carbamate?
The molecular weight of butyl N-(3-acetylphenyl)carbamate is 235.12 g/mol.
Where can I buy butyl N-(3-acetylphenyl)carbamate?
You can request a quote for butyl N-(3-acetylphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl N-(3-acetylphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for butyl N-(3-acetylphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.