1,1-Dichloroethyl methanesulfonate
TL;DR: 1,1-Dichloroethyl methanesulfonate (CAS 89119-22-2) is a chemical compound with molecular formula C3H6Cl2O3S and molecular weight 191.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichloroethyl methanesulfonate
Also Known As: Dichloroethanol methanesulfonate, 1,1-dichloroethyl methanesulfonate, Ethanol, dichloro-, methanesulfonate
| Molecular Formula | C3H6Cl2O3S |
|---|---|
| Molecular Weight | 191.94 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.94147 |
| Heavy Atoms | 9 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 89119-22-2 |
|---|---|
| SMILES | CC(OS(=O)(=O)C)(Cl)Cl |
| InChIKey | WTOIFUWFRKAHKR-UHFFFAOYSA-N |
Product Overview
1,1-Dichloroethyl methanesulfonate (CAS 89119-22-2), with molecular formula C3H6Cl2O3S and molecular weight 191.94 g/mol. IUPAC: 1,1-dichloroethyl methanesulfonate.
Chemical Property Profile of 1,1-Dichloroethyl methanesulfonate
Property Insights of 1,1-Dichloroethyl methanesulfonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dichloroethyl methanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 1,1-Dichloroethyl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichloroethyl 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 1,1-Dichloroethyl methanesulfonate?
The CAS number of 1,1-Dichloroethyl methanesulfonate is 89119-22-2.
What is the molecular formula of 1,1-Dichloroethyl methanesulfonate?
The molecular formula of 1,1-Dichloroethyl methanesulfonate is C3H6Cl2O3S.
What is the molecular weight of 1,1-Dichloroethyl methanesulfonate?
The molecular weight of 1,1-Dichloroethyl methanesulfonate is 191.94 g/mol.
Where can I buy 1,1-Dichloroethyl methanesulfonate?
You can request a quote for 1,1-Dichloroethyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dichloroethyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dichloroethyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.