3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid
TL;DR: 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid (CAS 41906-86-9) is a chemical compound with molecular formula C21H16N4O8S2 and molecular weight 516.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-[2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Nitrocefin, 3-(2,4-dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid, (6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C21H16N4O8S2 |
|---|---|
| Molecular Weight | 516.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.04095 |
| Heavy Atoms | 35 |
| Complexity | 991.0 |
Chemical Identifiers
| CAS Number | 41906-86-9 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)C=CC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LHNIIDJCEODSHA-YLJYHZDGSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid (CAS 41906-86-9), with molecular formula C21H16N4O8S2 and molecular weight 516.04 g/mol. IUPAC: (6R,7R)-3-[2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid
Property Insights of 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid. The TPSA of 232.0 Ų indicates high polarity, suggesting 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid has 2 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 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid?
The CAS number of 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid is 41906-86-9.
What is the molecular formula of 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid?
The molecular formula of 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid is C21H16N4O8S2.
What is the molecular weight of 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid?
The molecular weight of 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid is 516.04 g/mol.
Where can I buy 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid?
You can request a quote for 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-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 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.