Einecs 262-423-9
TL;DR: Einecs 262-423-9 (CAS 60771-27-9) is a chemical compound with molecular formula C23H21N3O8S and molecular weight 499.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 3-methylidene-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5λ4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
Also Known As: BAS 08330579, AE-641/40197999, (4-Nitrophenyl)methyl 3-methylidene-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate, 4-Nitrobenzyl [2R-(2alpha,5beta,6alpha,7beta)]-3-methylene-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide, (4-Nitrophenyl)methyl (2R,6R,7R)-3-methylidene-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
| Molecular Formula | C23H21N3O8S |
|---|---|
| Molecular Weight | 499.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.10495 |
| Heavy Atoms | 35 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 60771-27-9 |
|---|---|
| SMILES | C=C1CS(=O)C2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4 |
| InChIKey | HBKWKOGDTHDLLR-UHFFFAOYSA-N |
Product Overview
Einecs 262-423-9 (CAS 60771-27-9), with molecular formula C23H21N3O8S and molecular weight 499.10 g/mol. IUPAC: (4-nitrophenyl)methyl 3-methylidene-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5λ4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate.
Chemical Property Profile of Einecs 262-423-9
Property Insights of Einecs 262-423-9
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 262-423-9. The TPSA of 167.0 Ų indicates high polarity, suggesting Einecs 262-423-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 262-423-9 has 1 hydrogen bond donor(s) and 9 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 Einecs 262-423-9?
The CAS number of Einecs 262-423-9 is 60771-27-9.
What is the molecular formula of Einecs 262-423-9?
The molecular formula of Einecs 262-423-9 is C23H21N3O8S.
What is the molecular weight of Einecs 262-423-9?
The molecular weight of Einecs 262-423-9 is 499.10 g/mol.
Where can I buy Einecs 262-423-9?
You can request a quote for Einecs 262-423-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 262-423-9?
Yes, KEHONG BIO provides custom synthesis services for Einecs 262-423-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.