7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid
TL;DR: 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid (CAS 91776-95-3) is a chemical compound with molecular formula C14H18N2O8S and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[(5-carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 7-Hchcc, 55Fe3+, KST-1A8893, Iron, isotope of mass 55 (55Fe3+), 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid
| Molecular Formula | C14H18N2O8S |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.0784 |
| Heavy Atoms | 25 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 91776-95-3 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC(C(=O)O)O)C(=O)O)CO |
| InChIKey | ZUIQRUZRRLGKCT-XTOKZYMASA-N |
Product Overview
7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid (CAS 91776-95-3), with molecular formula C14H18N2O8S and molecular weight 374.08 g/mol. IUPAC: (6R,7R)-7-[(5-carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid
Property Insights of 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid
The XLogP value of -2.5 indicates that 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid has 5 hydrogen bond donor(s) and 9 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 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid?
The CAS number of 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid is 91776-95-3.
What is the molecular formula of 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid?
The molecular formula of 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid is C14H18N2O8S.
What is the molecular weight of 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid?
The molecular weight of 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid is 374.08 g/mol.
Where can I buy 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid?
You can request a quote for 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7beta-(5-Hydroxy-5-carboxyvarelamido)-3-hydroxymethyl-3-cephem-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.