AF-399/40851179
TL;DR: AF-399/40851179 (CAS 496027-86-2) is a chemical compound with molecular formula C23H26N4O3S3 and molecular weight 502.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
Also Known As: AF-399/40851179, F1174-3188, 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}ethan-1-one, 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone, 2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-tosylpiperazin-1-yl)ethanone
| Molecular Formula | C23H26N4O3S3 |
|---|---|
| Molecular Weight | 502.12 g/mol |
| LogP | 3.50372 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.1167 |
| Heavy Atoms | 33 |
| Complexity | 1280.2739 |
Chemical Identifiers
| CAS Number | 496027-86-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=NC4=C3C5=C(S4)CCCC5 |
Product Overview
AF-399/40851179 (CAS 496027-86-2), with molecular formula C23H26N4O3S3 and molecular weight 502.12 g/mol. IUPAC: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone.
Chemical Property Profile of AF-399/40851179
Property Insights of AF-399/40851179
The XLogP value of 3.50372 indicates that AF-399/40851179 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40851179. Following Lipinski's Rule of Five, AF-399/40851179 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40851179?
The CAS number of AF-399/40851179 is 496027-86-2.
What is the molecular formula of AF-399/40851179?
The molecular formula of AF-399/40851179 is C23H26N4O3S3.
What is the molecular weight of AF-399/40851179?
The molecular weight of AF-399/40851179 is 502.12 g/mol.
Where can I buy AF-399/40851179?
You can request a quote for AF-399/40851179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851179?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.