![3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid structure](/static/products/3292/329267-06-3.webp)
3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid
TL;DR: 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid (CAS 329267-06-3) is a chemical compound with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[4-(prop-2-enylcarbamothioylamino)anilino]butanoic acid
Also Known As: AF-399/15030114, 3-[(4-{[(prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid, 4-(4-{[(allylamino)carbothioyl]amino}anilino)-4-oxobutanoic acid, 4-oxo-4-[4-(prop-2-enylcarbamothioylamino)anilino]butanoic acid, 3-[[4-(prop-2-enylthiocarbamoylamino)phenyl]carbamoyl]propanoic Acid
| Molecular Formula | C14H17N3O3S |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 1.9623 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.09906 |
| Heavy Atoms | 21 |
| Complexity | 528.7707 |
Chemical Identifiers
| CAS Number | 329267-06-3 |
|---|---|
| SMILES | C=CCNC(=S)NC1=CC=C(C=C1)NC(=O)CCC(=O)O |
Product Overview
3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid (CAS 329267-06-3), with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol. IUPAC: 4-oxo-4-[4-(prop-2-enylcarbamothioylamino)anilino]butanoic acid.
Chemical Property Profile of 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid
Property Insights of 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid
The XLogP value of 1.9623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid. The TPSA of 90.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid. Following Lipinski's Rule of Five, 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic 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 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid?
The CAS number of 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid is 329267-06-3.
What is the molecular formula of 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid?
The molecular formula of 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid is C14H17N3O3S.
What is the molecular weight of 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid?
The molecular weight of 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid is 307.10 g/mol.
Where can I buy 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid?
You can request a quote for 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-{[(Prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.