1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate
TL;DR: 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate (CAS 16670-52-3) is a chemical compound with molecular formula C10H12Cl2O3S and molecular weight 281.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropropan-2-yl 4-methylbenzenesulfonate
Also Known As: 3-cyanobenzohydrazide, 1,3-dichloropropan-2-yl 4-methylbenzenesulfonate, 2-chloro-1-(chloromethyl)ethyl 4-methylbenzene-1-sulfonate, 1,3-dichloropropan-2-yl 4-methylbenzene-1-sulfonate, 2-Propanol, 1,3-dichloro-, 2-(4-methylbenzenesulfonate)
| Molecular Formula | C10H12Cl2O3S |
|---|---|
| Molecular Weight | 281.99 g/mol |
| LogP | 2.54652 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.98843 |
| Heavy Atoms | 16 |
| Complexity | 423.8823 |
Chemical Identifiers
| CAS Number | 16670-52-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(CCl)CCl |
Product Overview
1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate (CAS 16670-52-3), with molecular formula C10H12Cl2O3S and molecular weight 281.99 g/mol. IUPAC: 1,3-dichloropropan-2-yl 4-methylbenzenesulfonate.
Chemical Property Profile of 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate
Property Insights of 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate
The XLogP value of 2.54652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate 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 4-methylbenzenesulfonate?
The CAS number of 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate is 16670-52-3.
What is the molecular formula of 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate?
The molecular formula of 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate is C10H12Cl2O3S.
What is the molecular weight of 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate?
The molecular weight of 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate is 281.99 g/mol.
Where can I buy 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate?
You can request a quote for 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate 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 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloropropan-2-yl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.