Beclotiamine
TL;DR: Beclotiamine (CAS 20166-17-0) is a chemical compound with molecular formula C12H16ClN4S+ and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine
Also Known As: Beclotiamine, Thiamine EP Impurity C, BECLOTIAMINE ION, CHLOROTHIAMINE ION, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium
| Molecular Formula | C12H16ClN4S+ |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.07843 |
| Heavy Atoms | 18 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 20166-17-0 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCCl |
| InChIKey | QNJSQRKKBAWIPT-UHFFFAOYSA-N |
Product Overview
Beclotiamine (CAS 20166-17-0), with molecular formula C12H16ClN4S+ and molecular weight 283.08 g/mol. IUPAC: 5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine.
Chemical Property Profile of Beclotiamine
Property Insights of Beclotiamine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Beclotiamine. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Beclotiamine. Following Lipinski's Rule of Five, Beclotiamine 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 Beclotiamine?
The CAS number of Beclotiamine is 20166-17-0.
What is the molecular formula of Beclotiamine?
The molecular formula of Beclotiamine is C12H16ClN4S+.
What is the molecular weight of Beclotiamine?
The molecular weight of Beclotiamine is 283.08 g/mol.
Where can I buy Beclotiamine?
You can request a quote for Beclotiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beclotiamine?
Yes, KEHONG BIO provides custom synthesis services for Beclotiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.