苄基胺素
TL;DR: 苄基胺素 (CAS 22457-89-2) 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.
苄基胺素
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
| Molecular Formula | C19H23N4O6PS |
|---|---|
| Molecular Weight | 466.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 466.1076 |
| Heavy Atoms | 31 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 22457-89-2 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基胺素 (CAS 22457-89-2), with molecular formula C19H23N4O6PS and molecular weight 466.11 g/mol. IUPAC: S-[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate.
Chemical Property Profile of 苄基胺素
Property Insights of 苄基胺素
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄基胺素. The TPSA of 181.0 Ų indicates high polarity, suggesting 苄基胺素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苄基胺素 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
Frequently Asked Questions
What is the CAS number of 苄基胺素?
The CAS number of 苄基胺素 is 22457-89-2.
What is the molecular formula of 苄基胺素?
The molecular formula of 苄基胺素 is C19H23N4O6PS.
What is the molecular weight of 苄基胺素?
The molecular weight of 苄基胺素 is 466.11 g/mol.
Where can I buy 苄基胺素?
You can request a quote for 苄基胺素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基胺素?
Yes, KEHONG BIO provides custom synthesis services for 苄基胺素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.