Phenyl butyl(methyl)carbamate
TL;DR: Phenyl butyl(methyl)carbamate (CAS 54644-61-0) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-butyl-N-methylcarbamate
Also Known As: Carbamate A, Phenyl butyl(methyl)carbamate, phenyl N-butyl-N-methylcarbamate, Phenyl butyl(methyl)carbamate #, Carbamic acid, butylmethyl-, phenyl ester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 54644-61-0 |
|---|---|
| SMILES | CCCCN(C)C(=O)OC1=CC=CC=C1 |
| InChIKey | PIYQZICAYWIHGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl butyl(methyl)carbamate (CAS 54644-61-0), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: phenyl N-butyl-N-methylcarbamate.
Chemical Property Profile of Phenyl butyl(methyl)carbamate
Property Insights of Phenyl butyl(methyl)carbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl butyl(methyl)carbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Phenyl butyl(methyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl butyl(methyl)carbamate has 0 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 butyl(methyl)carbamate?
The CAS number of Phenyl butyl(methyl)carbamate is 54644-61-0.
What is the molecular formula of Phenyl butyl(methyl)carbamate?
The molecular formula of Phenyl butyl(methyl)carbamate is C12H17NO2.
What is the molecular weight of Phenyl butyl(methyl)carbamate?
The molecular weight of Phenyl butyl(methyl)carbamate is 207.13 g/mol.
Where can I buy Phenyl butyl(methyl)carbamate?
You can request a quote for Phenyl butyl(methyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl butyl(methyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl butyl(methyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.