4-Chlorobutyl carbamate
TL;DR: 4-Chlorobutyl carbamate (CAS 51165-58-3) is a chemical compound with molecular formula C5H10ClNO2 and molecular weight 151.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobutyl carbamate
Also Known As: 4-chlorobutyl carbamate, delta-chlorobutyl carbamate, RefChem:292116
| Molecular Formula | C5H10ClNO2 |
|---|---|
| Molecular Weight | 151.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 151.04001 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 51165-58-3 |
|---|---|
| SMILES | C(CCCl)COC(=O)N |
| InChIKey | HPBNDYJXVSJPTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorobutyl carbamate (CAS 51165-58-3), with molecular formula C5H10ClNO2 and molecular weight 151.04 g/mol. IUPAC: 4-chlorobutyl carbamate.
Chemical Property Profile of 4-Chlorobutyl carbamate
Property Insights of 4-Chlorobutyl carbamate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobutyl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, 4-Chlorobutyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobutyl carbamate 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 4-Chlorobutyl carbamate?
The CAS number of 4-Chlorobutyl carbamate is 51165-58-3.
What is the molecular formula of 4-Chlorobutyl carbamate?
The molecular formula of 4-Chlorobutyl carbamate is C5H10ClNO2.
What is the molecular weight of 4-Chlorobutyl carbamate?
The molecular weight of 4-Chlorobutyl carbamate is 151.04 g/mol.
Where can I buy 4-Chlorobutyl carbamate?
You can request a quote for 4-Chlorobutyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobutyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobutyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.