AF-399/40851333
TL;DR: AF-399/40851333 (CAS 379237-91-9) is a chemical compound with molecular formula C18H25N3S and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(4-methylpiperidin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
Also Known As: AF-399/40851333, 5-methyl-3-(4-methylpiperidin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2,4,6-tetraene, 2-methyl-4-(4-methyl-1-piperidinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C18H25N3S |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 4.50492 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.1769 |
| Heavy Atoms | 22 |
| Complexity | 683.1874 |
Chemical Identifiers
| CAS Number | 379237-91-9 |
|---|---|
| SMILES | CC1CCN(CC1)C2=C3C4=C(CCCCC4)SC3=NC(=N2)C |
Product Overview
AF-399/40851333 (CAS 379237-91-9), with molecular formula C18H25N3S and molecular weight 315.18 g/mol. IUPAC: 5-methyl-3-(4-methylpiperidin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene.
Chemical Property Profile of AF-399/40851333
Property Insights of AF-399/40851333
The XLogP value of 4.50492 indicates that AF-399/40851333 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, AF-399/40851333 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40851333 has 0 hydrogen bond donor(s) and 4 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-399/40851333?
The CAS number of AF-399/40851333 is 379237-91-9.
What is the molecular formula of AF-399/40851333?
The molecular formula of AF-399/40851333 is C18H25N3S.
What is the molecular weight of AF-399/40851333?
The molecular weight of AF-399/40851333 is 315.18 g/mol.
Where can I buy AF-399/40851333?
You can request a quote for AF-399/40851333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851333?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.