呋喃硫胺
TL;DR: 呋喃硫胺 (CAS 804-30-8) is a chemical compound with molecular formula C17H26N4O3S2 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
呋喃硫胺
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide
Also Known As: FURSULTIAMINE, Fursutiamine, Alinamin F, Thiamine tetrahydrofurfuryl disulfide, Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-buten-1-yl]-; Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(tetrahydrofurfuryl)dithio]-1-butenyl]- (6CI,8CI); Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-butenyl]- (9CI); N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-buten-1-yl]formamide; Adventan; Alinamin F; Diteftin; Fursultiamin; Fursultiamine; Judolor; Linamin; N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(tetrahydrofurfuryl)dithio]-1-butenyl]formamide; Retar B1; TTFD; Tetrahydrofurfuryl thiamine disulfide; Thiamin tetrahydrofurfuryl disulfide; Thiamine tetrahydrofurfuryl disulfide
| Molecular Formula | C17H26N4O3S2 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.14462 |
| Heavy Atoms | 26 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 804-30-8 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C |
| InChIKey | JTLXCMOFVBXEKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
呋喃硫胺 (CAS 804-30-8), with molecular formula C17H26N4O3S2 and molecular weight 398.14 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide.
Chemical Property Profile of 呋喃硫胺
Property Insights of 呋喃硫胺
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 呋喃硫胺. The TPSA of 152.0 Ų indicates high polarity, suggesting 呋喃硫胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FURSULTIAMINE has 2 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?
The CAS number of FURSULTIAMINE is 804-30-8.
What is the molecular formula of FURSULTIAMINE?
The molecular formula of FURSULTIAMINE is C17H26N4O3S2.
What is the molecular weight of FURSULTIAMINE?
The molecular weight of FURSULTIAMINE is 398.14 g/mol.
Where can I buy FURSULTIAMINE?
You can request a quote for FURSULTIAMINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FURSULTIAMINE?
Yes, KEHONG BIO provides custom synthesis services for FURSULTIAMINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.