Cephapirin benzathine
TL;DR: Cephapirin benzathine (CAS 68121-47-1) is a chemical compound with molecular formula C33H37N5O6S2 and molecular weight 663.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N,N'-dibenzylethane-1,2-diamine
Also Known As: Cephapirin benzathine, EINECS 266-205-4, EINECS 268-528-6, (6R-trans)-3-(Acetoxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, compound with N,N'-dibenzylethylenediamine, (6R-trans)-3-(acetoxymethyl)-8-oxo-7-[2-(4-pyridylthio)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, compound with N,N'-dibenzylethylenediamine
| Molecular Formula | C33H37N5O6S2 |
|---|---|
| Molecular Weight | 663.22 g/mol |
| LogP | 3.0414 |
| Topological Polar Surface Area | 149.96 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 663.2185 |
| Heavy Atoms | 46 |
| Complexity | 1450.647 |
Chemical Identifiers
| CAS Number | 68121-47-1 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2 |
Product Overview
Cephapirin benzathine (CAS 68121-47-1), with molecular formula C33H37N5O6S2 and molecular weight 663.22 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N,N'-dibenzylethane-1,2-diamine.
Chemical Property Profile of Cephapirin benzathine
Property Insights of Cephapirin benzathine
The XLogP value of 3.0414 indicates that Cephapirin benzathine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.96 Ų indicates high polarity, suggesting Cephapirin benzathine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephapirin benzathine has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cephapirin benzathine?
The CAS number of Cephapirin benzathine is 68121-47-1.
What is the molecular formula of Cephapirin benzathine?
The molecular formula of Cephapirin benzathine is C33H37N5O6S2.
What is the molecular weight of Cephapirin benzathine?
The molecular weight of Cephapirin benzathine is 663.22 g/mol.
Where can I buy Cephapirin benzathine?
You can request a quote for Cephapirin benzathine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephapirin benzathine?
Yes, KEHONG BIO provides custom synthesis services for Cephapirin benzathine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.