D-7-Aca
TL;DR: D-7-Aca (CAS 55779-10-7) is a chemical compound with molecular formula C13H16N2O7S and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-(4-carboxybutanoylamino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: D-7-Aca, Desacetyl glutaryl 7-aca, desacetyl glutaryl 7ACA, Ceftobiprole Impurity 37, Desacetyl glutaryl 7-aminocephalosporanic acid
| Molecular Formula | C13H16N2O7S |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | -1.0278 |
| Topological Polar Surface Area | 144.24 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.0678 |
| Heavy Atoms | 23 |
| Complexity | 588.87213 |
Chemical Identifiers
| CAS Number | 55779-10-7 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC(=O)O)C(=O)O)CO |
Product Overview
D-7-Aca (CAS 55779-10-7), with molecular formula C13H16N2O7S and molecular weight 344.07 g/mol. IUPAC: (6R,7R)-7-(4-carboxybutanoylamino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of D-7-Aca
Property Insights of D-7-Aca
The XLogP value of -1.0278 indicates that D-7-Aca is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.24 Ų indicates high polarity, suggesting D-7-Aca may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-7-Aca has 4 hydrogen bond donor(s) and 6 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 D-7-Aca?
The CAS number of D-7-Aca is 55779-10-7.
What is the molecular formula of D-7-Aca?
The molecular formula of D-7-Aca is C13H16N2O7S.
What is the molecular weight of D-7-Aca?
The molecular weight of D-7-Aca is 344.07 g/mol.
Where can I buy D-7-Aca?
You can request a quote for D-7-Aca directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-7-Aca?
Yes, KEHONG BIO provides custom synthesis services for D-7-Aca and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.