(3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate
TL;DR: (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate (CAS 83385-52-8) is a chemical compound with molecular formula C10H13ClO4S and molecular weight 266.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate
Also Known As: 1-chloro-3-(4-methylphenyl)sulfonyloxy-propan-2-ol, [3-2H2]-3-chloro-2-hydroxypropyl-p-toluenesulfonate
| Molecular Formula | C10H13ClO4S |
|---|---|
| Molecular Weight | 266.03 g/mol |
| LogP | 1.30002 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.03485 |
| Heavy Atoms | 16 |
| Complexity | 495.60413 |
Chemical Identifiers
| CAS Number | 83385-52-8 |
|---|---|
| SMILES | [2H]C([2H])(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)Cl |
Product Overview
(3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate (CAS 83385-52-8), with molecular formula C10H13ClO4S and molecular weight 266.03 g/mol. IUPAC: (3-chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate.
Chemical Property Profile of (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate
Property Insights of (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate
The XLogP value of 1.30002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 4 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-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate?
The CAS number of (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate is 83385-52-8.
What is the molecular formula of (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate?
The molecular formula of (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate is C10H13ClO4S.
What is the molecular weight of (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate?
The molecular weight of (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate is 266.03 g/mol.
Where can I buy (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate?
You can request a quote for (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-3,3-dideuterio-2-hydroxypropyl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.