![1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI) structure](/static/products/5950/59503-80-9.webp)
1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI)
TL;DR: 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI) (CAS 59503-80-9) is a chemical compound with molecular formula C23H19N3O5S3 and molecular weight 513.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]-3-methyl-4-oxobut-2-enoate
Also Known As: 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI), methyl 2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]-3-methyl-4-oxobut-2-enoate
| Molecular Formula | C23H19N3O5S3 |
|---|---|
| Molecular Weight | 513.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.0487 |
| Heavy Atoms | 34 |
| Complexity | 848.0 |
Chemical Identifiers
| CAS Number | 59503-80-9 |
|---|---|
| SMILES | CC(=C(C(=O)OC)N1C(C(C1=O)NC(=O)C2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3)C=O |
| InChIKey | MKVCOWXRGHAFNE-UHFFFAOYSA-N |
Product Overview
1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI) (CAS 59503-80-9), with molecular formula C23H19N3O5S3 and molecular weight 513.05 g/mol. IUPAC: methyl 2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]-3-methyl-4-oxobut-2-enoate.
Chemical Property Profile of 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI)
Property Insights of 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI)
The XLogP value of 3.8 indicates that 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI) 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 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI)?
The CAS number of 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI) is 59503-80-9.
What is the molecular formula of 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI)?
The molecular formula of 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI) is C23H19N3O5S3.
What is the molecular weight of 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI)?
The molecular weight of 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI) is 513.05 g/mol.
Where can I buy 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI)?
You can request a quote for 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI)?
Yes, KEHONG BIO provides custom synthesis services for 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.