![4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid structure](/static/products/1765/17659-96-0.webp)
4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid
TL;DR: 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid (CAS 17659-96-0) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-(prop-2-enylcarbamothioylamino)benzoic acid
Also Known As: N6-Isopentyladenosine, 4-(3-Allyl-thioureido)-2-hydroxy-benzoic acid, 2-hydroxy-4-(prop-2-enylcarbamothioylamino)benzoic acid, 4-{[(allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid, 2-hydroxy-4-(prop-2-enylthiocarbamoylamino)benzoic Acid
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 1.5628 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 460.02982 |
Chemical Identifiers
| CAS Number | 17659-96-0 |
|---|---|
| SMILES | C=CCNC(=S)NC1=CC(=C(C=C1)C(=O)O)O |
Product Overview
4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid (CAS 17659-96-0), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: 2-hydroxy-4-(prop-2-enylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid
Property Insights of 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid
The XLogP value of 1.5628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid. The TPSA of 81.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid. Following Lipinski's Rule of Five, 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid has 4 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-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid?
The CAS number of 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid is 17659-96-0.
What is the molecular formula of 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid?
The molecular formula of 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid is C11H12N2O3S.
What is the molecular weight of 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid?
The molecular weight of 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid is 252.06 g/mol.
Where can I buy 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid?
You can request a quote for 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(Allylamino)carbonothioyl]amino}-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.