AF-399/40923136
TL;DR: AF-399/40923136 (CAS 496022-63-0) is a chemical compound with molecular formula C22H25N3O2S2 and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-methoxyphenyl)ethyl]-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Also Known As: AF-399/40923136, N-[2-(4-methoxyphenyl)ethyl]-2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide, N-[2-(4-methoxyphenyl)ethyl]-2-(7-methyl(5,6,7,8-tetrahydrobenzo[b]thiopheno[3 ,2-e]pyrimidin-4-ylthio))acetamide, N-[2-(4-methoxyphenyl)ethyl]-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C22H25N3O2S2 |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 4.2757 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.13882 |
| Heavy Atoms | 29 |
| Complexity | 1001.2101 |
Chemical Identifiers
| CAS Number | 496022-63-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NCCC4=CC=C(C=C4)OC |
Product Overview
AF-399/40923136 (CAS 496022-63-0), with molecular formula C22H25N3O2S2 and molecular weight 427.14 g/mol. IUPAC: N-[2-(4-methoxyphenyl)ethyl]-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
Chemical Property Profile of AF-399/40923136
Property Insights of AF-399/40923136
The XLogP value of 4.2757 indicates that AF-399/40923136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40923136. Following Lipinski's Rule of Five, AF-399/40923136 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-399/40923136?
The CAS number of AF-399/40923136 is 496022-63-0.
What is the molecular formula of AF-399/40923136?
The molecular formula of AF-399/40923136 is C22H25N3O2S2.
What is the molecular weight of AF-399/40923136?
The molecular weight of AF-399/40923136 is 427.14 g/mol.
Where can I buy AF-399/40923136?
You can request a quote for AF-399/40923136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40923136?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40923136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.