Fumoxicillin
TL;DR: Fumoxicillin (CAS 827-37-2) is a chemical compound with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[(2S)-2-(furan-2-ylmethylideneamino)-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Fumoxicillin, KST-1A8416, (2s,5r,6r)-6-{[(2s)-2-{[(e)-furan-2-ylmethylidene]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-6-[[(2S)-2-(furan-2-ylmethylideneamino)-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[(2R)-2-[(2-furanylmethylene)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-
| Molecular Formula | C21H21N3O6S |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1151 |
| Heavy Atoms | 31 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 827-37-2 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](C3=CC=C(C=C3)O)N=CC4=CC=CO4)C(=O)O)C |
| InChIKey | BWENFVHXWNVVGN-CYJAXWMASA-N |
Product Overview
Fumoxicillin (CAS 827-37-2), with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol. IUPAC: (2S,5R,6R)-6-[[(2S)-2-(furan-2-ylmethylideneamino)-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Fumoxicillin
Property Insights of Fumoxicillin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fumoxicillin. The TPSA of 158.0 Ų indicates high polarity, suggesting Fumoxicillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fumoxicillin 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 Fumoxicillin?
The CAS number of Fumoxicillin is 827-37-2.
What is the molecular formula of Fumoxicillin?
The molecular formula of Fumoxicillin is C21H21N3O6S.
What is the molecular weight of Fumoxicillin?
The molecular weight of Fumoxicillin is 443.12 g/mol.
Where can I buy Fumoxicillin?
You can request a quote for Fumoxicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumoxicillin?
Yes, KEHONG BIO provides custom synthesis services for Fumoxicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.