![3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid structure](/static/products/814/81468-03-3.png)
3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid
TL;DR: 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid (CAS 81468-03-3) is a chemical compound with molecular formula C12H20N4O4S4 and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]carbamothioylsulfanyl]propanoic acid
Also Known As: 3,3'-[piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid, 3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl, 3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]carbamothioylsulfanyl]propanoic acid, 3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]thiocarbamoylsulfanyl]propanoic acid
| Molecular Formula | C12H20N4O4S4 |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | 0.5988 |
| Topological Polar Surface Area | 105.14 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.03674 |
| Heavy Atoms | 24 |
| Complexity | 429.9742 |
Chemical Identifiers
| CAS Number | 81468-03-3 |
|---|---|
| SMILES | C1CN(CCN1NC(=S)SCCC(=O)O)NC(=S)SCCC(=O)O |
Product Overview
3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid (CAS 81468-03-3), with molecular formula C12H20N4O4S4 and molecular weight 412.04 g/mol. IUPAC: 3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]carbamothioylsulfanyl]propanoic acid.
Chemical Property Profile of 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid
Property Insights of 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid
The XLogP value of 0.5988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid. The TPSA of 105.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid. Following Lipinski's Rule of Five, 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid has 4 hydrogen bond donor(s) and 8 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'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid?
The CAS number of 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid is 81468-03-3.
What is the molecular formula of 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid?
The molecular formula of 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid is C12H20N4O4S4.
What is the molecular weight of 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid?
The molecular weight of 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid is 412.04 g/mol.
Where can I buy 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid?
You can request a quote for 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]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'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-[Piperazine-1,4-diylbis(carbamothioylsulfanediyl)]dipropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.