EINECS 260-807-0
TL;DR: EINECS 260-807-0 (CAS 57561-95-2) is a chemical compound with molecular formula C36H34N2O7S2 and molecular weight 670.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzhydryl (2R)-3-methyl-2-[(2R)-2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate
Also Known As: EINECS 260-807-0, Benzhydryl (2R-(1(R*),2alpha,3alpha))-alpha-(isopropenyl)-4-oxo-3-((phenoxyacetyl)amino)-2-(((p-tolyl)sulphonyl)thio)azetidine-1-acetate, benzhydryl (2R)-3-methyl-2-[(2R)-2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate, Benzhydryl [2R-[1(R*),2alpha,3alpha]]-alpha-(isopropenyl)-4-oxo-3-[(phenoxyacetyl)amino]-2-[[(p-tolyl)sulphonyl]thio]azetidine-1-acetate, N-{(2R)-1-[(2R)-1-(Diphenylmethoxy)-3-methyl-1-oxobut-3-en-2-yl]-2-[(4-methylbenzene-1-sulfonyl)sulfanyl]-4-oxoazetidin-3-yl}(phenoxy)ethanimidic acid
| Molecular Formula | C36H34N2O7S2 |
|---|---|
| Molecular Weight | 670.18 g/mol |
| LogP | 5.42652 |
| Topological Polar Surface Area | 119.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 670.1807 |
| Heavy Atoms | 47 |
| Complexity | 1795.4426 |
Chemical Identifiers
| CAS Number | 57561-95-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)S[C@@H]2C(C(=O)N2[C@H](C(=C)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)COC5=CC=CC=C5 |
Product Overview
EINECS 260-807-0 (CAS 57561-95-2), with molecular formula C36H34N2O7S2 and molecular weight 670.18 g/mol. IUPAC: benzhydryl (2R)-3-methyl-2-[(2R)-2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate.
Chemical Property Profile of EINECS 260-807-0
Property Insights of EINECS 260-807-0
The XLogP value of 5.42652 indicates that EINECS 260-807-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.08 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 260-807-0. Following Lipinski's Rule of Five, EINECS 260-807-0 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 260-807-0?
The CAS number of EINECS 260-807-0 is 57561-95-2.
What is the molecular formula of EINECS 260-807-0?
The molecular formula of EINECS 260-807-0 is C36H34N2O7S2.
What is the molecular weight of EINECS 260-807-0?
The molecular weight of EINECS 260-807-0 is 670.18 g/mol.
Where can I buy EINECS 260-807-0?
You can request a quote for EINECS 260-807-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 260-807-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 260-807-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.