AF-399/40827523
TL;DR: AF-399/40827523 (CAS 442865-56-7) is a chemical compound with molecular formula C17H16N2O2S2 and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: AF-399/40827523, 3-allyl-5-(4-methoxyphenyl)-6-methyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one, F1174-3225, 5-(4-methoxyphenyl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one, 5-(4-methoxyphenyl)-6-methyl-3-(prop-2-en-1-yl)-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C17H16N2O2S2 |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0653 |
| Heavy Atoms | 23 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 442865-56-7 |
|---|---|
| SMILES | CC1=C(C2=C(S1)NC(=S)N(C2=O)CC=C)C3=CC=C(C=C3)OC |
| InChIKey | OZPCVXSAFKVDKA-UHFFFAOYSA-N |
Product Overview
AF-399/40827523 (CAS 442865-56-7), with molecular formula C17H16N2O2S2 and molecular weight 344.07 g/mol. IUPAC: 5-(4-methoxyphenyl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/40827523
Property Insights of AF-399/40827523
The XLogP value of 3.9 indicates that AF-399/40827523 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40827523. Following Lipinski's Rule of Five, AF-399/40827523 has 1 hydrogen bond donor(s) and 4 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-399/40827523?
The CAS number of AF-399/40827523 is 442865-56-7.
What is the molecular formula of AF-399/40827523?
The molecular formula of AF-399/40827523 is C17H16N2O2S2.
What is the molecular weight of AF-399/40827523?
The molecular weight of AF-399/40827523 is 344.07 g/mol.
Where can I buy AF-399/40827523?
You can request a quote for AF-399/40827523 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40827523?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40827523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.