Cycotiamine
TL;DR: Cycotiamine (CAS 6092-18-8) is a chemical compound with molecular formula C13H16N4O3S and molecular weight 308.09 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
Also Known As: Cycotiamine, Carbothiamine, Cometamine, Commetamin, Cycothiamine
| Molecular Formula | C13H16N4O3S |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.0943 |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 6092-18-8 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)C(=C2CCOC(=O)S2)C |
| InChIKey | LLJDJQYGZBQFIF-UHFFFAOYSA-N |
Product Overview
Cycotiamine (CAS 6092-18-8), with molecular formula C13H16N4O3S and molecular weight 308.09 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide.
Chemical Property Profile of Cycotiamine
Property Insights of Cycotiamine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycotiamine. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cycotiamine. Following Lipinski's Rule of Five, Cycotiamine has 1 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?
The CAS number of Cycotiamine is 6092-18-8.
What is the molecular formula of Cycotiamine?
The molecular formula of Cycotiamine is C13H16N4O3S.
What is the molecular weight of Cycotiamine?
The molecular weight of Cycotiamine is 308.09 g/mol.
Where can I buy Cycotiamine?
You can request a quote for Cycotiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycotiamine?
Yes, KEHONG BIO provides custom synthesis services for Cycotiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.