![3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name) structure](/static/products/799/799770-82-4.png)
3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name)
TL;DR: 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name) (CAS 799770-82-4) is a chemical compound with molecular formula C15H17N3O4S2 and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-(2-carboxyethyl)amino]propanoic acid
Also Known As: 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name), 3,3'-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanoic acid, 3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-(2-carboxyethyl)amino]propanoic acid
| Molecular Formula | C15H17N3O4S2 |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 367.06604 |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 799770-82-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)N(CCC(=O)O)CCC(=O)O |
| InChIKey | YKAHJIDZXRSBIY-UHFFFAOYSA-N |
Product Overview
3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name) (CAS 799770-82-4), with molecular formula C15H17N3O4S2 and molecular weight 367.07 g/mol. IUPAC: 3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-(2-carboxyethyl)amino]propanoic acid.
Chemical Property Profile of 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name)
Property Insights of 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name)
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name). The TPSA of 157.0 Ų indicates high polarity, suggesting 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name) 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-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name)?
The CAS number of 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name) is 799770-82-4.
What is the molecular formula of 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name)?
The molecular formula of 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name) is C15H17N3O4S2.
What is the molecular weight of 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name)?
The molecular weight of 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name) is 367.07 g/mol.
Where can I buy 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name)?
You can request a quote for 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name) 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-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanoic acid (non-preferred name) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.