Benfotiamine (INN:DCF:JAN)
TL;DR: Benfotiamine (INN:DCF:JAN) (CAS 22457-89-2) is a chemical compound with molecular formula C19H23N4O6PS and molecular weight 466.1076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate
Also Known As: benfotiamine, Benphothiamine, Biotamin, Berdi, Benfotiamina
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H23N4O6PS |
| Molecular Weight | 466.1076 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 466.1076 Da |
| Heavy Atoms | 31 |
| Complexity | 697.0 |
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOP(=O)(O)O)SC(=O)C2=CC=CC=C2)C |
| InChIKey | BTNNPSLJPBRMLZ-UHFFFAOYSA-N |
Product Description
Applications: Benfotiamine (INN:DCF:JAN) is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Benfotiamine (INN:DCF:JAN) (CAS 22457-89-2) is a pharmaceutical intermediate with the molecular formula C19H23N4O6PS and a molecular weight of 466.11 g/mol. Synonyms include benfotiamine and Benphothiamine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benfotiamine (INN:DCF:JAN)
Property Insights of Benfotiamine (INN:DCF:JAN)
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benfotiamine (INN:DCF:JAN). The TPSA of 181.0 Ų indicates high polarity, suggesting Benfotiamine (INN:DCF:JAN) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benfotiamine (INN:DCF:JAN) has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benfotiamine (INN:DCF:JAN)?
The CAS number of Benfotiamine (INN:DCF:JAN) is 22457-89-2.
What is the molecular formula of Benfotiamine (INN:DCF:JAN)?
The molecular formula of Benfotiamine (INN:DCF:JAN) is C19H23N4O6PS.
What is the molecular weight of Benfotiamine (INN:DCF:JAN)?
The molecular weight of Benfotiamine (INN:DCF:JAN) is 466.1076 g/mol.
What are the applications of Benfotiamine (INN:DCF:JAN)?
Benfotiamine (INN:DCF:JAN) is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg...
Where can I buy Benfotiamine (INN:DCF:JAN)?
You can request a quote for Benfotiamine (INN:DCF:JAN) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benfotiamine (INN:DCF:JAN)?
Yes, CoreyChem provides custom synthesis services for Benfotiamine (INN:DCF:JAN) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.