AF-399/40684104
TL;DR: AF-399/40684104 (CAS 379244-88-9) is a chemical compound with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[2-(5-methyl-2-nitrophenoxy)ethylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: AF-399/40684104, 2-methyl-4-[2-(5-methyl-2-nitrophenoxy)ethylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 4-[(2-{2-nitro-5-methylphenoxy}ethyl)sulfanyl]-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 4-methyl-2-[2-(2-methyl(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4- ylthio))ethoxy]-1-nitrobenzene
| Molecular Formula | C20H21N3O3S2 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 5.26624 |
| Topological Polar Surface Area | 78.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.10245 |
| Heavy Atoms | 28 |
| Complexity | 1048.8422 |
Chemical Identifiers
| CAS Number | 379244-88-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])OCCSC2=NC(=NC3=C2C4=C(S3)CCCC4)C |
Product Overview
AF-399/40684104 (CAS 379244-88-9), with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol. IUPAC: 2-methyl-4-[2-(5-methyl-2-nitrophenoxy)ethylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of AF-399/40684104
Property Insights of AF-399/40684104
The XLogP value of 5.26624 indicates that AF-399/40684104 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40684104. Following Lipinski's Rule of Five, AF-399/40684104 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-399/40684104?
The CAS number of AF-399/40684104 is 379244-88-9.
What is the molecular formula of AF-399/40684104?
The molecular formula of AF-399/40684104 is C20H21N3O3S2.
What is the molecular weight of AF-399/40684104?
The molecular weight of AF-399/40684104 is 415.10 g/mol.
Where can I buy AF-399/40684104?
You can request a quote for AF-399/40684104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40684104?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40684104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.