EINECS 260-809-1
TL;DR: EINECS 260-809-1 (CAS 57562-02-4) is a chemical compound with molecular formula C29H26N2O7S and molecular weight 546.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzhydryl (6R)-3-methoxy-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: 5-Acetyl-2-(p-chlorphenyl)thiazol, Diphenylmethyl (5R-(5alpha,6alpha,7beta))-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate 5-oxide, benzhydryl (6R)-3-methoxy-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5, Diphenylmethyl (5S-(5alpha,6beta,7alpha))-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate 5-oxide, benzhydryl 3-methoxy-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5
| Molecular Formula | C29H26N2O7S |
|---|---|
| Molecular Weight | 546.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 546.14606 |
| Heavy Atoms | 39 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 57562-02-4 |
|---|---|
| SMILES | COC1=C(N2[C@@H](C(C2=O)NC(=O)COC3=CC=CC=C3)S(=O)C1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | QQAYRTHPIWQKCZ-HNZQATFASA-N |
Product Overview
EINECS 260-809-1 (CAS 57562-02-4), with molecular formula C29H26N2O7S and molecular weight 546.15 g/mol. IUPAC: benzhydryl (6R)-3-methoxy-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of EINECS 260-809-1
Property Insights of EINECS 260-809-1
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 260-809-1. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 260-809-1. Following Lipinski's Rule of Five, EINECS 260-809-1 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 260-809-1?
The CAS number of EINECS 260-809-1 is 57562-02-4.
What is the molecular formula of EINECS 260-809-1?
The molecular formula of EINECS 260-809-1 is C29H26N2O7S.
What is the molecular weight of EINECS 260-809-1?
The molecular weight of EINECS 260-809-1 is 546.15 g/mol.
Where can I buy EINECS 260-809-1?
You can request a quote for EINECS 260-809-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 260-809-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 260-809-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.