AF-399/40850987
TL;DR: AF-399/40850987 (CAS 379236-94-9) is a chemical compound with molecular formula C24H21N3O5S2 and molecular weight 495.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate
Also Known As: AF-399/40850987, ethyl 4-[({[3-allyl-5-(2-furyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-[[2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate, ethyl 4-(2-((3-allyl-5-(furan-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoate
| Molecular Formula | C24H21N3O5S2 |
|---|---|
| Molecular Weight | 495.09 g/mol |
| LogP | 4.8115 |
| Topological Polar Surface Area | 103.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.09225 |
| Heavy Atoms | 34 |
| Complexity | 1388.755 |
Chemical Identifiers
| CAS Number | 379236-94-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2CC=C |
Product Overview
AF-399/40850987 (CAS 379236-94-9), with molecular formula C24H21N3O5S2 and molecular weight 495.09 g/mol. IUPAC: ethyl 4-[[2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of AF-399/40850987
Property Insights of AF-399/40850987
The XLogP value of 4.8115 indicates that AF-399/40850987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40850987. Following Lipinski's Rule of Five, AF-399/40850987 has 1 hydrogen bond donor(s) and 8 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-399/40850987?
The CAS number of AF-399/40850987 is 379236-94-9.
What is the molecular formula of AF-399/40850987?
The molecular formula of AF-399/40850987 is C24H21N3O5S2.
What is the molecular weight of AF-399/40850987?
The molecular weight of AF-399/40850987 is 495.09 g/mol.
Where can I buy AF-399/40850987?
You can request a quote for AF-399/40850987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40850987?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40850987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.