AF-399/37418005
TL;DR: AF-399/37418005 (CAS 314260-91-8) is a chemical compound with molecular formula C21H21F3N4S and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methyl-12-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
Also Known As: AF-399/37418005, 10-Methyl-12-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene, 3-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidine, 2-methyl-4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C21H21F3N4S |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 4.83382 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.1439 |
| Heavy Atoms | 29 |
| Complexity | 1067.7089 |
Chemical Identifiers
| CAS Number | 314260-91-8 |
|---|---|
| SMILES | CC1=NC(=C2C3=C(CCC3)SC2=N1)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F |
Product Overview
AF-399/37418005 (CAS 314260-91-8), with molecular formula C21H21F3N4S and molecular weight 418.14 g/mol. IUPAC: 10-methyl-12-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene.
Chemical Property Profile of AF-399/37418005
Property Insights of AF-399/37418005
The XLogP value of 4.83382 indicates that AF-399/37418005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, AF-399/37418005 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/37418005 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-399/37418005?
The CAS number of AF-399/37418005 is 314260-91-8.
What is the molecular formula of AF-399/37418005?
The molecular formula of AF-399/37418005 is C21H21F3N4S.
What is the molecular weight of AF-399/37418005?
The molecular weight of AF-399/37418005 is 418.14 g/mol.
Where can I buy AF-399/37418005?
You can request a quote for AF-399/37418005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/37418005?
Yes, KEHONG BIO provides custom synthesis services for AF-399/37418005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.