AF-399/15335561
TL;DR: AF-399/15335561 (CAS 326883-30-1) is a chemical compound with molecular formula C24H23N5OS3 and molecular weight 493.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: AF-399/15335561, F0857-0003, (E)-2-(((4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 10-{[(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 10-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C24H23N5OS3 |
|---|---|
| Molecular Weight | 493.11 g/mol |
| LogP | 5.3486 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.10648 |
| Heavy Atoms | 33 |
| Complexity | 1370.2616 |
Chemical Identifiers
| CAS Number | 326883-30-1 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SC/C=C/C2=CC=CC=C2)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3 |
Product Overview
AF-399/15335561 (CAS 326883-30-1), with molecular formula C24H23N5OS3 and molecular weight 493.11 g/mol. IUPAC: 10-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of AF-399/15335561
Property Insights of AF-399/15335561
The XLogP value of 5.3486 indicates that AF-399/15335561 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15335561. Following Lipinski's Rule of Five, AF-399/15335561 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15335561?
The CAS number of AF-399/15335561 is 326883-30-1.
What is the molecular formula of AF-399/15335561?
The molecular formula of AF-399/15335561 is C24H23N5OS3.
What is the molecular weight of AF-399/15335561?
The molecular weight of AF-399/15335561 is 493.11 g/mol.
Where can I buy AF-399/15335561?
You can request a quote for AF-399/15335561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15335561?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15335561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.