Methyl (3-chloropropyl)carbamate
TL;DR: Methyl (3-chloropropyl)carbamate (CAS 63656-12-2) 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.
methyl N-(3-chloropropyl)carbamate
Also Known As: Methyl (3-chloropropyl)carbamate, methyl N-(3-chloropropyl)carbamate, CARBAMIC ACID,(3-CHLOROPROPYL)-, METHYL ESTER (9CI)
| Molecular Formula | C5H10ClNO2 |
|---|---|
| Molecular Weight | 151.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 151.04001 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 63656-12-2 |
|---|---|
| SMILES | COC(=O)NCCCCl |
| InChIKey | HPKWHBDMFYXXBC-UHFFFAOYSA-N |
Product Overview
Methyl (3-chloropropyl)carbamate (CAS 63656-12-2), with molecular formula C5H10ClNO2 and molecular weight 151.04 g/mol. IUPAC: methyl N-(3-chloropropyl)carbamate.
Chemical Property Profile of Methyl (3-chloropropyl)carbamate
Property Insights of Methyl (3-chloropropyl)carbamate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3-chloropropyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl (3-chloropropyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (3-chloropropyl)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 Methyl (3-chloropropyl)carbamate?
The CAS number of Methyl (3-chloropropyl)carbamate is 63656-12-2.
What is the molecular formula of Methyl (3-chloropropyl)carbamate?
The molecular formula of Methyl (3-chloropropyl)carbamate is C5H10ClNO2.
What is the molecular weight of Methyl (3-chloropropyl)carbamate?
The molecular weight of Methyl (3-chloropropyl)carbamate is 151.04 g/mol.
Where can I buy Methyl (3-chloropropyl)carbamate?
You can request a quote for Methyl (3-chloropropyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (3-chloropropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3-chloropropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.