fursultiamine hydrochloride
TL;DR: fursultiamine hydrochloride (CAS 2105-43-3) is a chemical compound with molecular formula C17H27ClN4O3S2 and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide;hydrochloride
Also Known As: fursultiamine hydrochloride, Fursultimine hydrochloride, N-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide;hydrochloride, N-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-N-(5-hydroxy-3-{[(oxolan-2-yl)methyl]disulfanyl}pent-2-en-2-yl)formamide--hydrogen chloride (1/1)
| Molecular Formula | C17H27ClN4O3S2 |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 2.92172 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.1213 |
| Heavy Atoms | 27 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 2105-43-3 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C.Cl |
| InChIKey | OPGOLNDOMSBSCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
fursultiamine hydrochloride (CAS 2105-43-3), with molecular formula C17H27ClN4O3S2 and molecular weight 434.12 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide;hydrochloride.
Chemical Property Profile of fursultiamine hydrochloride
Property Insights of fursultiamine hydrochloride
The XLogP value of 2.92172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for fursultiamine hydrochloride. The TPSA of 152.0 Ų indicates high polarity, suggesting fursultiamine hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, fursultiamine hydrochloride 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 fursultiamine hydrochloride?
The CAS number of fursultiamine hydrochloride is 2105-43-3.
What is the molecular formula of fursultiamine hydrochloride?
The molecular formula of fursultiamine hydrochloride is C17H27ClN4O3S2.
What is the molecular weight of fursultiamine hydrochloride?
The molecular weight of fursultiamine hydrochloride is 434.12 g/mol.
Where can I buy fursultiamine hydrochloride?
You can request a quote for fursultiamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for fursultiamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for fursultiamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.