![4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid structure](/static/products/286/286407-56-5.png)
4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid
TL;DR: 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid (CAS 286407-56-5) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid
Also Known As: 4-{2-[(allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid, 4-[(prop-2-enylthiocarbamoylhydrazinylidene)methyl]benzoic Acid, 4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 1.3688 |
| Topological Polar Surface Area | 73.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 468.7158 |
Chemical Identifiers
| CAS Number | 286407-56-5 |
|---|---|
| SMILES | C=CCNC(=S)N/N=C/C1=CC=C(C=C1)C(=O)O |
Product Overview
4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid (CAS 286407-56-5), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: 4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid.
Chemical Property Profile of 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid
Property Insights of 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid
The XLogP value of 1.3688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid. The TPSA of 73.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid. Following Lipinski's Rule of Five, 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid has 3 hydrogen bond donor(s) and 3 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 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid?
The CAS number of 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid is 286407-56-5.
What is the molecular formula of 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid?
The molecular formula of 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid is C12H13N3O2S.
What is the molecular weight of 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid?
The molecular weight of 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid is 263.07 g/mol.
Where can I buy 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid?
You can request a quote for 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[(Allylamino)(sulfanyl)methylene]carbohydrazonoyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.