EINECS 262-860-5
TL;DR: EINECS 262-860-5 (CAS 61585-90-8) is a chemical compound with molecular formula C36H31N3O5S3 and molecular weight 681.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzhydryl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate
Also Known As: Benzhydryl 2-(benzothiazol-2-yldithio)-alpha-(isopropenyl)-4-oxo-3-((phenoxyacetyl)amino)azetidine-1-acetate, benzhydryl2- -alpha- -4-oxo-3-[ amino]azetidine-1-acetate, BENZHYDRYL 2-(BENZOTHIAZOL-2-YLDITHIO)-ALPHA-(ISOPROPENYL)-4-OXO-3-[(PHENOXYACETYL)AMINO]AZETIDINE-1-ACETATE, benzhydryl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate, 2-[(Benzothiazol-2-yl)dithio]-alpha-(1-methylethenyl)-4-oxo-3-[(phenoxyacetyl)amino]-1-azetidineacetic acid diphenylmethyl ester
| Molecular Formula | C36H31N3O5S3 |
|---|---|
| Molecular Weight | 681.14 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 681.1426 |
| Heavy Atoms | 47 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 61585-90-8 |
|---|---|
| SMILES | CC(=C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(C(C3=O)NC(=O)COC4=CC=CC=C4)SSC5=NC6=CC=CC=C6S5 |
| InChIKey | XIWJNWWOPFNDHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EINECS 262-860-5 (CAS 61585-90-8), with molecular formula C36H31N3O5S3 and molecular weight 681.14 g/mol. IUPAC: benzhydryl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate.
Chemical Property Profile of EINECS 262-860-5
Property Insights of EINECS 262-860-5
The XLogP value of 8.3 indicates that EINECS 262-860-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting EINECS 262-860-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 262-860-5 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 262-860-5?
The CAS number of EINECS 262-860-5 is 61585-90-8.
What is the molecular formula of EINECS 262-860-5?
The molecular formula of EINECS 262-860-5 is C36H31N3O5S3.
What is the molecular weight of EINECS 262-860-5?
The molecular weight of EINECS 262-860-5 is 681.14 g/mol.
Where can I buy EINECS 262-860-5?
You can request a quote for EINECS 262-860-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-860-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-860-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.