AF-399/40654121
TL;DR: AF-399/40654121 (CAS 315697-22-4) is a chemical compound with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenoxy)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
Also Known As: AF-399/40654121, 4-(3-methoxyphenoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine, 3-(3-methoxyphenoxy)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene, 3-(3-methoxyphenoxy)-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2,4,6-tetraene
| Molecular Formula | C18H18N2O2S |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 4.7611 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1089 |
| Heavy Atoms | 23 |
| Complexity | 844.15393 |
Chemical Identifiers
| CAS Number | 315697-22-4 |
|---|---|
| SMILES | COC1=CC(=CC=C1)OC2=C3C4=C(CCCCC4)SC3=NC=N2 |
Product Overview
AF-399/40654121 (CAS 315697-22-4), with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol. IUPAC: 3-(3-methoxyphenoxy)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene.
Chemical Property Profile of AF-399/40654121
Property Insights of AF-399/40654121
The XLogP value of 4.7611 indicates that AF-399/40654121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, AF-399/40654121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40654121 has 0 hydrogen bond donor(s) and 5 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-399/40654121?
The CAS number of AF-399/40654121 is 315697-22-4.
What is the molecular formula of AF-399/40654121?
The molecular formula of AF-399/40654121 is C18H18N2O2S.
What is the molecular weight of AF-399/40654121?
The molecular weight of AF-399/40654121 is 326.11 g/mol.
Where can I buy AF-399/40654121?
You can request a quote for AF-399/40654121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40654121?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40654121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.