AF-399/13200017
TL;DR: AF-399/13200017 (CAS 324779-76-2) is a chemical compound with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-nitrophenyl)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one
Also Known As: AF-399/13200017, (E)-3-(3-nitrophenyl)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one, (2E)-3-(3-nitrophenyl)-1-[3-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-4-yl]prop-2-en-1-one, 4-(3-{3-nitrophenyl}acryloyl)-3-(2-propynylsulfanyl)-4H-1,2,4-triazole, (2E)-3-(3-nitrophenyl)-1-(3-prop-2-ynylthio(1,2,4-triazol-4-yl))prop-2-en-1-on e
| Molecular Formula | C14H10N4O3S |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 2.2652 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.04736 |
| Heavy Atoms | 22 |
| Complexity | 776.3903 |
Chemical Identifiers
| CAS Number | 324779-76-2 |
|---|---|
| SMILES | C#CCSC1=NN=CN1C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
AF-399/13200017 (CAS 324779-76-2), with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol. IUPAC: (E)-3-(3-nitrophenyl)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one.
Chemical Property Profile of AF-399/13200017
Property Insights of AF-399/13200017
The XLogP value of 2.2652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/13200017. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13200017. Following Lipinski's Rule of Five, AF-399/13200017 has 0 hydrogen bond donor(s) and 6 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 AF-399/13200017?
The CAS number of AF-399/13200017 is 324779-76-2.
What is the molecular formula of AF-399/13200017?
The molecular formula of AF-399/13200017 is C14H10N4O3S.
What is the molecular weight of AF-399/13200017?
The molecular weight of AF-399/13200017 is 314.05 g/mol.
Where can I buy AF-399/13200017?
You can request a quote for AF-399/13200017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13200017?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13200017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.