Carbamic acid, (4-phenylbutyl)-, ethyl ester
TL;DR: Carbamic acid, (4-phenylbutyl)-, ethyl ester (CAS 100618-31-3) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-phenylbutyl)carbamate
Also Known As: N-Phenylbutylurethan, Ethyl N-(4-phenylbutyl)carbamate, Ethyl (4-phenylbutyl)carbamate, Carbamic acid, (4-phenylbutyl)-, ethyl ester, 4-Phenylbutylcarbamic acid ethyl ester
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.7554 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 298.06073 |
Chemical Identifiers
| CAS Number | 100618-31-3 |
|---|---|
| SMILES | CCOC(=O)NCCCCC1=CC=CC=C1 |
Product Overview
Carbamic acid, (4-phenylbutyl)-, ethyl ester (CAS 100618-31-3), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: ethyl N-(4-phenylbutyl)carbamate.
Chemical Property Profile of Carbamic acid, (4-phenylbutyl)-, ethyl ester
Property Insights of Carbamic acid, (4-phenylbutyl)-, ethyl ester
The XLogP value of 2.7554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (4-phenylbutyl)-, ethyl ester. With a topological polar surface area (TPSA) of 38.33 Ų, Carbamic acid, (4-phenylbutyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (4-phenylbutyl)-, ethyl ester 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 Carbamic acid, (4-phenylbutyl)-, ethyl ester?
The CAS number of Carbamic acid, (4-phenylbutyl)-, ethyl ester is 100618-31-3.
What is the molecular formula of Carbamic acid, (4-phenylbutyl)-, ethyl ester?
The molecular formula of Carbamic acid, (4-phenylbutyl)-, ethyl ester is C13H19NO2.
What is the molecular weight of Carbamic acid, (4-phenylbutyl)-, ethyl ester?
The molecular weight of Carbamic acid, (4-phenylbutyl)-, ethyl ester is 221.14 g/mol.
Where can I buy Carbamic acid, (4-phenylbutyl)-, ethyl ester?
You can request a quote for Carbamic acid, (4-phenylbutyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (4-phenylbutyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (4-phenylbutyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.