Bentiamine
TL;DR: Bentiamine (CAS 299-88-7) is a chemical compound with molecular formula C26H26N4O4S and molecular weight 490.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-benzoylsulfanylpent-3-enyl] benzoate
Also Known As: Bentiamine, Dibenzoyl thiamine, Dibenzoylthiamine, Bentiamina, Bentiaminum
| Molecular Formula | C26H26N4O4S |
|---|---|
| Molecular Weight | 490.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 490.16748 |
| Heavy Atoms | 35 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 299-88-7 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C |
| InChIKey | AZJUFRDUYTYIHV-UHFFFAOYSA-N |
Product Overview
Bentiamine (CAS 299-88-7), with molecular formula C26H26N4O4S and molecular weight 490.17 g/mol. IUPAC: [4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-benzoylsulfanylpent-3-enyl] benzoate.
Chemical Property Profile of Bentiamine
Property Insights of Bentiamine
The XLogP value of 3.8 indicates that Bentiamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Bentiamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bentiamine has 1 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 Bentiamine?
The CAS number of Bentiamine is 299-88-7.
What is the molecular formula of Bentiamine?
The molecular formula of Bentiamine is C26H26N4O4S.
What is the molecular weight of Bentiamine?
The molecular weight of Bentiamine is 490.17 g/mol.
Where can I buy Bentiamine?
You can request a quote for Bentiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bentiamine?
Yes, KEHONG BIO provides custom synthesis services for Bentiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.