benfotiamine
TL;DR: benfotiamine (CAS 23002-99-5) is a chemical compound with molecular formula C19H23N4O6PS and molecular weight 466.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate
Also Known As: benfotiamine, Biotamin, Benfotiaminum, Benphothiamine, Benfotiamina
| Molecular Formula | C19H23N4O6PS |
|---|---|
| Molecular Weight | 466.11 g/mol |
| LogP | 2.63012 |
| Topological Polar Surface Area | 155.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 466.1076 |
| Heavy Atoms | 31 |
| Complexity | 1011.7125 |
Chemical Identifiers
| CAS Number | 23002-99-5 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCOP(=O)(O)O)/SC(=O)C2=CC=CC=C2)/C |
Product Overview
benfotiamine (CAS 23002-99-5), with molecular formula C19H23N4O6PS and molecular weight 466.11 g/mol. IUPAC: S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate.
Chemical Property Profile of benfotiamine
Property Insights of benfotiamine
The XLogP value of 2.63012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benfotiamine. The TPSA of 155.94 Ų indicates high polarity, suggesting benfotiamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benfotiamine has 3 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 benfotiamine?
The CAS number of benfotiamine is 23002-99-5.
What is the molecular formula of benfotiamine?
The molecular formula of benfotiamine is C19H23N4O6PS.
What is the molecular weight of benfotiamine?
The molecular weight of benfotiamine is 466.11 g/mol.
Where can I buy benfotiamine?
You can request a quote for benfotiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benfotiamine?
Yes, KEHONG BIO provides custom synthesis services for benfotiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.