Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate
TL;DR: Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (CAS 6617-01-2) is a chemical compound with molecular formula C9H16ClNO6S3 and molecular weight 364.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chloropropyl)-4-methyl-1,3-thiazole;ethane-1,2-disulfonic acid
Also Known As: Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate, 5-(3-Chloropropyl)-4-methylthiazole 1,2-ethanedisulfonate, Ethanedisulfonate-1,2 de methyl-4 gamma-chloropropyl-5 thiazole [French], Ethanedisulfonate-1,2 de methyl-4 gamma-chloropropyl-5 thiazole, 1,2-Ethanedisulfonic acid, compd. with 5-(3-chloropropyl)-4-methylthiazole
| Molecular Formula | C9H16ClNO6S3 |
|---|---|
| Molecular Weight | 364.98 g/mol |
| LogP | 1.38492 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.98282 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 6617-01-2 |
|---|---|
| SMILES | CC1=C(SC=N1)CCCCl.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | MBDIQCAEPLUTMF-UHFFFAOYSA-N |
Product Overview
Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (CAS 6617-01-2), with molecular formula C9H16ClNO6S3 and molecular weight 364.98 g/mol. IUPAC: 5-(3-chloropropyl)-4-methyl-1,3-thiazole;ethane-1,2-disulfonic acid.
Chemical Property Profile of Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate
Property Insights of Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate
The XLogP value of 1.38492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate. The TPSA of 167.0 Ų indicates high polarity, suggesting Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate has 2 hydrogen bond donor(s) and 8 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 Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate?
The CAS number of Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate is 6617-01-2.
What is the molecular formula of Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate?
The molecular formula of Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate is C9H16ClNO6S3.
What is the molecular weight of Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate?
The molecular weight of Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate is 364.98 g/mol.
Where can I buy Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate?
You can request a quote for Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate?
Yes, KEHONG BIO provides custom synthesis services for Thiazole, 5-(3-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.