AF-399/40634585
TL;DR: AF-399/40634585 (CAS 308298-91-1) is a chemical compound with molecular formula C23H23N5OS3 and molecular weight 481.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AF-399/40634585, (E)-2-(((5-(cinnamylthio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, F0876-0035, 2-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 5-{[(4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C23H23N5OS3 |
|---|---|
| Molecular Weight | 481.11 g/mol |
| LogP | 5.0897 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.10648 |
| Heavy Atoms | 32 |
| Complexity | 1322.904 |
Chemical Identifiers
| CAS Number | 308298-91-1 |
|---|---|
| SMILES | CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3 |
Product Overview
AF-399/40634585 (CAS 308298-91-1), with molecular formula C23H23N5OS3 and molecular weight 481.11 g/mol. IUPAC: 2-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/40634585
Property Insights of AF-399/40634585
The XLogP value of 5.0897 indicates that AF-399/40634585 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-399/40634585. Following Lipinski's Rule of Five, AF-399/40634585 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-399/40634585?
The CAS number of AF-399/40634585 is 308298-91-1.
What is the molecular formula of AF-399/40634585?
The molecular formula of AF-399/40634585 is C23H23N5OS3.
What is the molecular weight of AF-399/40634585?
The molecular weight of AF-399/40634585 is 481.11 g/mol.
Where can I buy AF-399/40634585?
You can request a quote for AF-399/40634585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40634585?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40634585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.