butyl N-acetylcarbamate
TL;DR: butyl N-acetylcarbamate (CAS 7506-86-7) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-acetylcarbamate
Also Known As: butyl N-acetylcarbamate, Butyl acetylcarbamate, 1-benzoyl-4,6,8-trimethylazulene, Carbamic acid, acetyl-,butyl ester (7CI,9CI)
| Molecular Formula | C7H13NO3 |
|---|---|
| Molecular Weight | 159.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.08954 |
| Heavy Atoms | 11 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 7506-86-7 |
|---|---|
| SMILES | CCCCOC(=O)NC(=O)C |
| InChIKey | XLTBNCBZMBKTKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
butyl N-acetylcarbamate (CAS 7506-86-7), with molecular formula C7H13NO3 and molecular weight 159.09 g/mol. IUPAC: butyl N-acetylcarbamate.
Chemical Property Profile of butyl N-acetylcarbamate
Property Insights of butyl N-acetylcarbamate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl N-acetylcarbamate. With a topological polar surface area (TPSA) of 55.4 Ų, butyl N-acetylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl N-acetylcarbamate 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-acetylcarbamate?
The CAS number of butyl N-acetylcarbamate is 7506-86-7.
What is the molecular formula of butyl N-acetylcarbamate?
The molecular formula of butyl N-acetylcarbamate is C7H13NO3.
What is the molecular weight of butyl N-acetylcarbamate?
The molecular weight of butyl N-acetylcarbamate is 159.09 g/mol.
Where can I buy butyl N-acetylcarbamate?
You can request a quote for butyl N-acetylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl N-acetylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for butyl N-acetylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.