Heminevrin (TN)
TL;DR: Heminevrin (TN) (CAS 1867-58-9) is a chemical compound with molecular formula C8H14ClNO6S3 and molecular weight 350.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloroethyl)-4-methyl-1,3-thiazole;ethane-1,2-disulfonic acid
Also Known As: Hemithiamine, Clomethiazol, Heminevrin, Chlormethiazole edisylate, Heminevrin (TN)
| Molecular Formula | C8H14ClNO6S3 |
|---|---|
| Molecular Weight | 350.97 g/mol |
| LogP | 0.99 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.9672 |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 1867-58-9 |
|---|---|
| SMILES | CC1=C(SC=N1)CCCl.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | DRSIVJKCYUTEEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heminevrin (TN) (CAS 1867-58-9), with molecular formula C8H14ClNO6S3 and molecular weight 350.97 g/mol. IUPAC: 5-(2-chloroethyl)-4-methyl-1,3-thiazole;ethane-1,2-disulfonic acid.
Chemical Property Profile of Heminevrin (TN)
Property Insights of Heminevrin (TN)
The XLogP value of 0.99 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heminevrin (TN). The TPSA of 167.0 Ų indicates high polarity, suggesting Heminevrin (TN) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heminevrin (TN) 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 Heminevrin (TN)?
The CAS number of Heminevrin (TN) is 1867-58-9.
What is the molecular formula of Heminevrin (TN)?
The molecular formula of Heminevrin (TN) is C8H14ClNO6S3.
What is the molecular weight of Heminevrin (TN)?
The molecular weight of Heminevrin (TN) is 350.97 g/mol.
Where can I buy Heminevrin (TN)?
You can request a quote for Heminevrin (TN) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heminevrin (TN)?
Yes, KEHONG BIO provides custom synthesis services for Heminevrin (TN) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.