AF-399/40831230
TL;DR: AF-399/40831230 (CAS 496027-84-0) is a chemical compound with molecular formula C22H22N4O2S2 and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
Also Known As: AF-399/40831230, F1174-3167, N-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}acetamide, N-(1-acetylindolin-5-yl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide, N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
| Molecular Formula | C22H22N4O2S2 |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 4.2099 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.1184 |
| Heavy Atoms | 30 |
| Complexity | 1157.4902 |
Chemical Identifiers
| CAS Number | 496027-84-0 |
|---|---|
| SMILES | CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)CSC3=NC=NC4=C3C5=C(S4)CCCC5 |
Product Overview
AF-399/40831230 (CAS 496027-84-0), with molecular formula C22H22N4O2S2 and molecular weight 438.12 g/mol. IUPAC: N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide.
Chemical Property Profile of AF-399/40831230
Property Insights of AF-399/40831230
The XLogP value of 4.2099 indicates that AF-399/40831230 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40831230. Following Lipinski's Rule of Five, AF-399/40831230 has 1 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-399/40831230?
The CAS number of AF-399/40831230 is 496027-84-0.
What is the molecular formula of AF-399/40831230?
The molecular formula of AF-399/40831230 is C22H22N4O2S2.
What is the molecular weight of AF-399/40831230?
The molecular weight of AF-399/40831230 is 438.12 g/mol.
Where can I buy AF-399/40831230?
You can request a quote for AF-399/40831230 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40831230?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40831230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.