![(2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid structure](/static/products/402/402945-18-0.png)
(2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid
TL;DR: (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid (CAS 402945-18-0) is a chemical compound with molecular formula C13H12N4O4S and molecular weight 320.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[2-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
Also Known As: (2Z)-4-[2-(1H-1,3-BENZODIAZOL-2-YLSULFANYL)ACETOHYDRAZIDO]-4-OXOBUT-2-ENOIC ACID, (E)-4-[2-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
| Molecular Formula | C13H12N4O4S |
|---|---|
| Molecular Weight | 320.06 g/mol |
| LogP | 0.4432 |
| Topological Polar Surface Area | 124.18 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.05792 |
| Heavy Atoms | 22 |
| Complexity | 707.4703 |
Chemical Identifiers
| CAS Number | 402945-18-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC(=O)NNC(=O)/C=C/C(=O)O |
Product Overview
(2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid (CAS 402945-18-0), with molecular formula C13H12N4O4S and molecular weight 320.06 g/mol. IUPAC: (E)-4-[2-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid
Property Insights of (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid
The XLogP value of 0.4432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid. The TPSA of 124.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid has 4 hydrogen bond donor(s) and 5 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 (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid?
The CAS number of (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid is 402945-18-0.
What is the molecular formula of (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid?
The molecular formula of (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid is C13H12N4O4S.
What is the molecular weight of (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid?
The molecular weight of (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid is 320.06 g/mol.
Where can I buy (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid?
You can request a quote for (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-4-[2-(1H-1,3-Benzodiazol-2-ylsulfanyl)acetohydrazido]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.