3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid
TL;DR: 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid (CAS 796878-48-3) is a chemical compound with molecular formula C10H15N3O4S2 and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-carboxyethyl-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]propanoic acid
Also Known As: 3,3'-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid, 3-[(2-CARBOXYETHYL)[5-(ETHYLSULFANYL)-1,3,4-THIADIAZOL-2-YL]AMINO]PROPANOIC ACID, 3-[2-carboxyethyl-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]propanoic acid, 3,3'-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name)
| Molecular Formula | C10H15N3O4S2 |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 305.05038 |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 796878-48-3 |
|---|---|
| SMILES | CCSC1=NN=C(S1)N(CCC(=O)O)CCC(=O)O |
| InChIKey | VUEIJLXRSBXTLY-UHFFFAOYSA-N |
Product Overview
3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid (CAS 796878-48-3), with molecular formula C10H15N3O4S2 and molecular weight 305.05 g/mol. IUPAC: 3-[2-carboxyethyl-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]propanoic acid.
Chemical Property Profile of 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid
Property Insights of 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid. The TPSA of 157.0 Ų indicates high polarity, suggesting 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid?
The CAS number of 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid is 796878-48-3.
What is the molecular formula of 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid?
The molecular formula of 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid is C10H15N3O4S2.
What is the molecular weight of 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid?
The molecular weight of 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid is 305.05 g/mol.
Where can I buy 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid?
You can request a quote for 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-((5-(Ethylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.