AF-399/40756818
TL;DR: AF-399/40756818 (CAS 379236-21-2) 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.
5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: AF-399/40756818, 3-allyl-5-(5-methylfuran-2-yl)-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)thieno[2,3-d]pyrimidin-4(3H)-one, F1174-2993, 5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 3-allyl-5-(5-methyl-2-furyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C20H21N3O3S2 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 3.92692 |
| Topological Polar Surface Area | 68.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.10245 |
| Heavy Atoms | 28 |
| Complexity | 1089.9949 |
Chemical Identifiers
| CAS Number | 379236-21-2 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCC4)CC=C |
Product Overview
AF-399/40756818 (CAS 379236-21-2), with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol. IUPAC: 5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/40756818
Property Insights of AF-399/40756818
The XLogP value of 3.92692 indicates that AF-399/40756818 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756818. Following Lipinski's Rule of Five, AF-399/40756818 has 0 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-399/40756818?
The CAS number of AF-399/40756818 is 379236-21-2.
What is the molecular formula of AF-399/40756818?
The molecular formula of AF-399/40756818 is C20H21N3O3S2.
What is the molecular weight of AF-399/40756818?
The molecular weight of AF-399/40756818 is 415.10 g/mol.
Where can I buy AF-399/40756818?
You can request a quote for AF-399/40756818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756818?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.