Zofenopril Impurity 4
TL;DR: Zofenopril Impurity 4 (CAS 57653-38-0) is a chemical compound with molecular formula C21H23NO7S and molecular weight 433.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-benzyl 2-O-methyl (2S,4R)-4-(4-methylphenyl)sulfonyloxypyrrolidine-1,2-dicarboxylate
Also Known As: Zofenopril Impurity 4, N-carbobenzyloxy-trans-4-tosyloxy-L-proline, methyl ester, (2S,4R)-1-benzyloxycarbonyl-4-(p-toluenesulfonyloxy)proline methyl ester, 1-[(phenylmethoxy)carbonyl]-trans-4-tosyloxy-L-proline, methyl ester, 1-O-benzyl 2-O-methyl (2S,4R)-4-(4-methylphenyl)sulfonyloxypyrrolidine-1,2-dicarboxylate
| Molecular Formula | C21H23NO7S |
|---|---|
| Molecular Weight | 433.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.11954 |
| Heavy Atoms | 30 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 57653-38-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2C[C@H](N(C2)C(=O)OCC3=CC=CC=C3)C(=O)OC |
| InChIKey | CRGZVZQOSILHGM-MJGOQNOKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zofenopril Impurity 4 (CAS 57653-38-0), with molecular formula C21H23NO7S and molecular weight 433.12 g/mol. IUPAC: 1-O-benzyl 2-O-methyl (2S,4R)-4-(4-methylphenyl)sulfonyloxypyrrolidine-1,2-dicarboxylate.
Chemical Property Profile of Zofenopril Impurity 4
Property Insights of Zofenopril Impurity 4
The XLogP value of 3.1 indicates that Zofenopril Impurity 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Zofenopril Impurity 4. Following Lipinski's Rule of Five, Zofenopril Impurity 4 has 0 hydrogen bond donor(s) and 7 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 Zofenopril Impurity 4?
The CAS number of Zofenopril Impurity 4 is 57653-38-0.
What is the molecular formula of Zofenopril Impurity 4?
The molecular formula of Zofenopril Impurity 4 is C21H23NO7S.
What is the molecular weight of Zofenopril Impurity 4?
The molecular weight of Zofenopril Impurity 4 is 433.12 g/mol.
Where can I buy Zofenopril Impurity 4?
You can request a quote for Zofenopril Impurity 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zofenopril Impurity 4?
Yes, KEHONG BIO provides custom synthesis services for Zofenopril Impurity 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.