Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride
TL;DR: Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride (CAS 1936-37-4) is a chemical compound with molecular formula C8H13Cl3N2S and molecular weight 273.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine;hydrochloride
Also Known As: 4-Di-(beta-chloroethyl)aminomethylthiazole hydrochloride, 4-((Bis(2-chloroethyl)amino)methyl)thiazole hydrochloride, Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride, 2-chloro-n-(2-chloroethyl)-n-(1,3-thiazol-4-ylmethyl)ethanamine hydrochloride(1:1), 2-chloro-N-(2-chloroethyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine hydrochloride
| Molecular Formula | C8H13Cl3N2S |
|---|---|
| Molecular Weight | 273.99 g/mol |
| LogP | 2.84 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.9865 |
| Heavy Atoms | 14 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 1936-37-4 |
|---|---|
| SMILES | C1=C(N=CS1)CN(CCCl)CCCl.Cl |
| InChIKey | YPMLBQWRUHTBQY-UHFFFAOYSA-N |
Product Overview
Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride (CAS 1936-37-4), with molecular formula C8H13Cl3N2S and molecular weight 273.99 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine;hydrochloride.
Chemical Property Profile of Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride
Property Insights of Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride
The XLogP value of 2.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride. With a topological polar surface area (TPSA) of 44.4 Ų, Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride has 1 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 Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride?
The CAS number of Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride is 1936-37-4.
What is the molecular formula of Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride?
The molecular formula of Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride is C8H13Cl3N2S.
What is the molecular weight of Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride?
The molecular weight of Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride is 273.99 g/mol.
Where can I buy Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride?
You can request a quote for Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.