Furbenicillin
TL;DR: Furbenicillin (CAS 54661-82-4) is a chemical compound with molecular formula C22H22N4O7S and molecular weight 486.12 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-carbonylcarbamoylamino)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Furbenicillin, BL-P1597, (2S,5R,6R)-6-[[2-(furan-2-carbonylcarbamoylamino)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, {(R)-[3-(furan-2-carbonyl)-ureido]-phenyl-methyl}-penicillin, 6-(D-alpha(3-(2-Furoyl)ureido)phenylacetamido)penicillinic acid potassium salt
| Molecular Formula | C22H22N4O7S |
|---|---|
| Molecular Weight | 486.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.1209 |
| Heavy Atoms | 34 |
| Complexity | 875.0 |
Chemical Identifiers
| CAS Number | 54661-82-4 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)NC(=O)C4=CC=CO4)C(=O)O)C |
| InChIKey | AWBJVSUGLZFBOG-BWMCOSIFSA-N |
Product Overview
Furbenicillin (CAS 54661-82-4), with molecular formula C22H22N4O7S and molecular weight 486.12 g/mol. IUPAC: (2S,5R,6R)-6-[[2-(furan-2-carbonylcarbamoylamino)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Furbenicillin
Property Insights of Furbenicillin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furbenicillin. The TPSA of 183.0 Ų indicates high polarity, suggesting Furbenicillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Furbenicillin has 4 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 Furbenicillin?
The CAS number of Furbenicillin is 54661-82-4.
What is the molecular formula of Furbenicillin?
The molecular formula of Furbenicillin is C22H22N4O7S.
What is the molecular weight of Furbenicillin?
The molecular weight of Furbenicillin is 486.12 g/mol.
Where can I buy Furbenicillin?
You can request a quote for Furbenicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furbenicillin?
Yes, KEHONG BIO provides custom synthesis services for Furbenicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.