Acefurtiamine
TL;DR: Acefurtiamine (CAS 10072-48-7) is a chemical compound with molecular formula C21H24N4O7S and molecular weight 476.14 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-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetyloxyacetate
Also Known As: Acefurtiamine, Acefurtiamina, Acefurtiaminum, Acefurtiamine [INN], [4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetyloxyacetate
| Molecular Formula | C21H24N4O7S |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 476.13657 |
| Heavy Atoms | 33 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 10072-48-7 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)COC(=O)C)SC(=O)C2=CC=CO2)C |
| InChIKey | MYBUGVXNAHWTOL-UHFFFAOYSA-N |
Product Overview
Acefurtiamine (CAS 10072-48-7), with molecular formula C21H24N4O7S and molecular weight 476.14 g/mol. IUPAC: [4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetyloxyacetate.
Chemical Property Profile of Acefurtiamine
Property Insights of Acefurtiamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acefurtiamine. The TPSA of 180.0 Ų indicates high polarity, suggesting Acefurtiamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acefurtiamine has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acefurtiamine?
The CAS number of Acefurtiamine is 10072-48-7.
What is the molecular formula of Acefurtiamine?
The molecular formula of Acefurtiamine is C21H24N4O7S.
What is the molecular weight of Acefurtiamine?
The molecular weight of Acefurtiamine is 476.14 g/mol.
Where can I buy Acefurtiamine?
You can request a quote for Acefurtiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acefurtiamine?
Yes, KEHONG BIO provides custom synthesis services for Acefurtiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.