3-Chloropropyl methanesulfonate
TL;DR: 3-Chloropropyl methanesulfonate (CAS 4239-16-1) is a chemical compound with molecular formula C4H9ClO3S and molecular weight 172.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloropropyl methanesulfonate
Also Known As: 3-chloropropyl methanesulfonate, 1-CHLORO-3-METHYLSULFONYLOXY-PROPANE, 3-chloro-1-propanol methansulphonate, Methansulfonsaeure-(3-chlor-propylester)
| Molecular Formula | C4H9ClO3S |
|---|---|
| Molecular Weight | 172.00 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.9961 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 4239-16-1 |
|---|---|
| SMILES | CS(=O)(=O)OCCCCl |
| InChIKey | PSMABJWBWWPRCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloropropyl methanesulfonate (CAS 4239-16-1), with molecular formula C4H9ClO3S and molecular weight 172.00 g/mol. IUPAC: 3-chloropropyl methanesulfonate.
Chemical Property Profile of 3-Chloropropyl methanesulfonate
Property Insights of 3-Chloropropyl methanesulfonate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloropropyl methanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 3-Chloropropyl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloropropyl methanesulfonate has 0 hydrogen bond donor(s) and 3 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 3-Chloropropyl methanesulfonate?
The CAS number of 3-Chloropropyl methanesulfonate is 4239-16-1.
What is the molecular formula of 3-Chloropropyl methanesulfonate?
The molecular formula of 3-Chloropropyl methanesulfonate is C4H9ClO3S.
What is the molecular weight of 3-Chloropropyl methanesulfonate?
The molecular weight of 3-Chloropropyl methanesulfonate is 172.00 g/mol.
Where can I buy 3-Chloropropyl methanesulfonate?
You can request a quote for 3-Chloropropyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloropropyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloropropyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.