AF-399/40654064
TL;DR: AF-399/40654064 (CAS 374693-48-8) is a chemical compound with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20-(2-hydroxyethylamino)-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one
Also Known As: AF-399/40654064, 5-[(2-hydroxyethyl)amino]-9,10,11,12-tetrahydro-8H-[1]benzothieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, 5-[(2-hydroxyethyl)amino]-7,9,10,11,12-pentahydrobenzo[b]thiopheno[2,3-d]phtha lazino[2,1-a]pyrimidin-8-one
| Molecular Formula | C19H18N4O2S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 2.7404 |
| Topological Polar Surface Area | 79.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.11505 |
| Heavy Atoms | 26 |
| Complexity | 1211.3015 |
Chemical Identifiers
| CAS Number | 374693-48-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C4C5=CC=CC=C5C(=NN4C3=O)NCCO |
Product Overview
AF-399/40654064 (CAS 374693-48-8), with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol. IUPAC: 20-(2-hydroxyethylamino)-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one.
Chemical Property Profile of AF-399/40654064
Property Insights of AF-399/40654064
The XLogP value of 2.7404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/40654064. The TPSA of 79.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40654064. Following Lipinski's Rule of Five, AF-399/40654064 has 2 hydrogen bond donor(s) and 6 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-399/40654064?
The CAS number of AF-399/40654064 is 374693-48-8.
What is the molecular formula of AF-399/40654064?
The molecular formula of AF-399/40654064 is C19H18N4O2S.
What is the molecular weight of AF-399/40654064?
The molecular weight of AF-399/40654064 is 366.12 g/mol.
Where can I buy AF-399/40654064?
You can request a quote for AF-399/40654064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40654064?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40654064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.