![(2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid structure](/static/products/883/883810-00-2.png)
(2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid
TL;DR: (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid (CAS 883810-00-2) is a chemical compound with molecular formula C16H14N6O6S5 and molecular weight 545.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[2-[[5-[2-[[4-(carboxymethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
Also Known As: (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid, 2-[[2-[[5-[[2-[[4-(Carboxymethyl)-2-thiazolyl]amino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]-4-thiazoleacetic acid, 2-[2-[[2-[[5-[2-[[4-(carboxymethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
| Molecular Formula | C16H14N6O6S5 |
|---|---|
| Molecular Weight | 545.96 g/mol |
| LogP | 2.1669 |
| Topological Polar Surface Area | 184.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 545.9578 |
| Heavy Atoms | 33 |
| Complexity | 1073.6527 |
Chemical Identifiers
| CAS Number | 883810-00-2 |
|---|---|
| SMILES | C1=C(N=C(S1)NC(=O)CSC2=NN=C(S2)SCC(=O)NC3=NC(=CS3)CC(=O)O)CC(=O)O |
Product Overview
(2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid (CAS 883810-00-2), with molecular formula C16H14N6O6S5 and molecular weight 545.96 g/mol. IUPAC: 2-[2-[[2-[[5-[2-[[4-(carboxymethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetic acid.
Chemical Property Profile of (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid
Property Insights of (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid
The XLogP value of 2.1669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid. The TPSA of 184.36 Ų indicates high polarity, suggesting (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid?
The CAS number of (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid is 883810-00-2.
What is the molecular formula of (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid?
The molecular formula of (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid is C16H14N6O6S5.
What is the molecular weight of (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid?
The molecular weight of (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid is 545.96 g/mol.
Where can I buy (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid?
You can request a quote for (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-{[({5-[(2-{[4-(carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.