AF-399/15539091
TL;DR: AF-399/15539091 (CAS 379247-91-3) is a chemical compound with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: AF-399/15539091, F1174-2131, N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide, N-(5-methyl-1,2-oxazol-3-yl)-2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, 2-((3-allyl-4-oxo-6-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
| Molecular Formula | C21H18N4O3S2 |
|---|---|
| Molecular Weight | 438.08 g/mol |
| LogP | 4.33822 |
| Topological Polar Surface Area | 90.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.08203 |
| Heavy Atoms | 30 |
| Complexity | 1274.6414 |
Chemical Identifiers
| CAS Number | 379247-91-3 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CC=C |
Product Overview
AF-399/15539091 (CAS 379247-91-3), with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of AF-399/15539091
Property Insights of AF-399/15539091
The XLogP value of 4.33822 indicates that AF-399/15539091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15539091. Following Lipinski's Rule of Five, AF-399/15539091 has 1 hydrogen bond donor(s) and 7 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-399/15539091?
The CAS number of AF-399/15539091 is 379247-91-3.
What is the molecular formula of AF-399/15539091?
The molecular formula of AF-399/15539091 is C21H18N4O3S2.
What is the molecular weight of AF-399/15539091?
The molecular weight of AF-399/15539091 is 438.08 g/mol.
Where can I buy AF-399/15539091?
You can request a quote for AF-399/15539091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15539091?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15539091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.