1,3-Dichloropropan-2-yl methanesulfonate
TL;DR: 1,3-Dichloropropan-2-yl methanesulfonate (CAS 5335-71-7) is a chemical compound with molecular formula C4H8Cl2O3S and molecular weight 205.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropropan-2-yl methanesulfonate
Also Known As: 1,3-dichloropropan-2-yl methanesulfonate, 1,3-dichloro-2-propylmethanesulphonate, KST-1B4955, KST-1B4956, 1,3-Dichloro-2-propyl methanesulfonate
| Molecular Formula | C4H8Cl2O3S |
|---|---|
| Molecular Weight | 205.96 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.95712 |
| Heavy Atoms | 10 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 5335-71-7 |
|---|---|
| SMILES | CS(=O)(=O)OC(CCl)CCl |
| InChIKey | ONCGQZHVGIFLRV-UHFFFAOYSA-N |
Product Overview
1,3-Dichloropropan-2-yl methanesulfonate (CAS 5335-71-7), with molecular formula C4H8Cl2O3S and molecular weight 205.96 g/mol. IUPAC: 1,3-dichloropropan-2-yl methanesulfonate.
Chemical Property Profile of 1,3-Dichloropropan-2-yl methanesulfonate
Property Insights of 1,3-Dichloropropan-2-yl methanesulfonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichloropropan-2-yl methanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 1,3-Dichloropropan-2-yl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloropropan-2-yl 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 1,3-Dichloropropan-2-yl methanesulfonate?
The CAS number of 1,3-Dichloropropan-2-yl methanesulfonate is 5335-71-7.
What is the molecular formula of 1,3-Dichloropropan-2-yl methanesulfonate?
The molecular formula of 1,3-Dichloropropan-2-yl methanesulfonate is C4H8Cl2O3S.
What is the molecular weight of 1,3-Dichloropropan-2-yl methanesulfonate?
The molecular weight of 1,3-Dichloropropan-2-yl methanesulfonate is 205.96 g/mol.
Where can I buy 1,3-Dichloropropan-2-yl methanesulfonate?
You can request a quote for 1,3-Dichloropropan-2-yl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dichloropropan-2-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloropropan-2-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.