Desacetylcephapirin
TL;DR: Desacetylcephapirin (CAS 4660-54-2) is a chemical compound with molecular formula C15H15N3O5S2 and molecular weight 381.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Desacetylcephapirin, Desacetyl cephapirin, Desacetylcefapirin, DEACETYLCEPHAPIRIN, DEACETYLCEFAPIRIN
| Molecular Formula | C15H15N3O5S2 |
|---|---|
| Molecular Weight | 381.05 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.04532 |
| Heavy Atoms | 25 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 4660-54-2 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)C(=O)O)CO |
| InChIKey | IOFHZPVEQXTSQW-BXUZGUMPSA-N |
Product Overview
Desacetylcephapirin (CAS 4660-54-2), with molecular formula C15H15N3O5S2 and molecular weight 381.05 g/mol. IUPAC: (6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Desacetylcephapirin
Property Insights of Desacetylcephapirin
The XLogP value of -1.7 indicates that Desacetylcephapirin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting Desacetylcephapirin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desacetylcephapirin 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 Desacetylcephapirin?
The CAS number of Desacetylcephapirin is 4660-54-2.
What is the molecular formula of Desacetylcephapirin?
The molecular formula of Desacetylcephapirin is C15H15N3O5S2.
What is the molecular weight of Desacetylcephapirin?
The molecular weight of Desacetylcephapirin is 381.05 g/mol.
Where can I buy Desacetylcephapirin?
You can request a quote for Desacetylcephapirin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desacetylcephapirin?
Yes, KEHONG BIO provides custom synthesis services for Desacetylcephapirin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.