Cycotiamine Hydrochloride
TL;DR: Cycotiamine Hydrochloride (CAS 19488-19-8) is a chemical compound with molecular formula C13H17ClN4O3S and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide;hydrochloride
Also Known As: Cycotiamine hydrochloride, Cycothiamin hydrochloride, Cycothiamine hydrochloride, Cycothiamin hydrochloride [MI], Cycotiamine hydrochloride [JAN]
| Molecular Formula | C13H17ClN4O3S |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 2.25242 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.07098 |
| Heavy Atoms | 22 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 19488-19-8 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)C(=C2CCOC(=O)S2)C.Cl |
| InChIKey | TWKGUAZLHNQNQW-UHFFFAOYSA-N |
Product Overview
Cycotiamine Hydrochloride (CAS 19488-19-8), with molecular formula C13H17ClN4O3S and molecular weight 344.07 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide;hydrochloride.
Chemical Property Profile of Cycotiamine Hydrochloride
Property Insights of Cycotiamine Hydrochloride
The XLogP value of 2.25242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycotiamine Hydrochloride. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cycotiamine Hydrochloride. Following Lipinski's Rule of Five, Cycotiamine Hydrochloride has 2 hydrogen bond donor(s) and 7 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 Cycotiamine Hydrochloride?
The CAS number of Cycotiamine Hydrochloride is 19488-19-8.
What is the molecular formula of Cycotiamine Hydrochloride?
The molecular formula of Cycotiamine Hydrochloride is C13H17ClN4O3S.
What is the molecular weight of Cycotiamine Hydrochloride?
The molecular weight of Cycotiamine Hydrochloride is 344.07 g/mol.
Where can I buy Cycotiamine Hydrochloride?
You can request a quote for Cycotiamine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycotiamine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cycotiamine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.