Furbucillin
TL;DR: Furbucillin (CAS 6294-84-4) is a chemical compound with molecular formula C19H24N2O7S and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[2-(furan-2-carbonyloxy)-4-methylpentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Furbucillin, Furbucillin [INN], KST-1A6742, (2s,5r,6r)-6-({2-[(furan-2-ylcarbonyl)oxy]-4-methylpentanoyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-6-((R)-2-((Furan-2-carbonyl)oxy)-4-methylpentanamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C19H24N2O7S |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.13043 |
| Heavy Atoms | 29 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 6294-84-4 |
|---|---|
| SMILES | CC(C)CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC(=O)C3=CC=CO3 |
| InChIKey | FRUAVHAXMXYUGM-XQERAMJGSA-N |
Product Overview
Furbucillin (CAS 6294-84-4), with molecular formula C19H24N2O7S and molecular weight 424.13 g/mol. IUPAC: (2S,5R,6R)-6-[[2-(furan-2-carbonyloxy)-4-methylpentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Furbucillin
Property Insights of Furbucillin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furbucillin. The TPSA of 151.0 Ų indicates high polarity, suggesting Furbucillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Furbucillin 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 Furbucillin?
The CAS number of Furbucillin is 6294-84-4.
What is the molecular formula of Furbucillin?
The molecular formula of Furbucillin is C19H24N2O7S.
What is the molecular weight of Furbucillin?
The molecular weight of Furbucillin is 424.13 g/mol.
Where can I buy Furbucillin?
You can request a quote for Furbucillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furbucillin?
Yes, KEHONG BIO provides custom synthesis services for Furbucillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.