Phenyl n-butylcarbamate
TL;DR: Phenyl n-butylcarbamate (CAS 3898-47-3) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-butylcarbamate
Also Known As: phenyl N-butylcarbamate, phenyl butylcarbamate, phenyl N-butyl-carbamate, phenyl-N-butyl carbamate, Carbamic acid, butyl-, phenyl ester
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 3898-47-3 |
|---|---|
| SMILES | CCCCNC(=O)OC1=CC=CC=C1 |
| InChIKey | ICGNCPZDLALZBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl n-butylcarbamate (CAS 3898-47-3), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: phenyl N-butylcarbamate.
Chemical Property Profile of Phenyl n-butylcarbamate
Property Insights of Phenyl n-butylcarbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl n-butylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Phenyl n-butylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl n-butylcarbamate has 1 hydrogen bond donor(s) and 2 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 Phenyl n-butylcarbamate?
The CAS number of Phenyl n-butylcarbamate is 3898-47-3.
What is the molecular formula of Phenyl n-butylcarbamate?
The molecular formula of Phenyl n-butylcarbamate is C11H15NO2.
What is the molecular weight of Phenyl n-butylcarbamate?
The molecular weight of Phenyl n-butylcarbamate is 193.11 g/mol.
Where can I buy Phenyl n-butylcarbamate?
You can request a quote for Phenyl n-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl n-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl n-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.