AF-399/40756772
TL;DR: AF-399/40756772 (CAS 379236-63-2) 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.
methyl 4-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate
Also Known As: AF-399/40756772, F1174-3037, methyl 4-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate, methyl 4-(2-((3-allyl-5-(5-methylfuran-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoate, methyl 4-(2-{[5-(5-methylfuran-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
| Molecular Formula | C24H21N3O5S2 |
|---|---|
| Molecular Weight | 495.09 g/mol |
| LogP | 4.72982 |
| Topological Polar Surface Area | 103.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.09225 |
| Heavy Atoms | 34 |
| Complexity | 1433.3369 |
Chemical Identifiers
| CAS Number | 379236-63-2 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC)CC=C |
Product Overview
AF-399/40756772 (CAS 379236-63-2), with molecular formula C24H21N3O5S2 and molecular weight 495.09 g/mol. IUPAC: methyl 4-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of AF-399/40756772
Property Insights of AF-399/40756772
The XLogP value of 4.72982 indicates that AF-399/40756772 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-399/40756772. Following Lipinski's Rule of Five, AF-399/40756772 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-399/40756772?
The CAS number of AF-399/40756772 is 379236-63-2.
What is the molecular formula of AF-399/40756772?
The molecular formula of AF-399/40756772 is C24H21N3O5S2.
What is the molecular weight of AF-399/40756772?
The molecular weight of AF-399/40756772 is 495.09 g/mol.
Where can I buy AF-399/40756772?
You can request a quote for AF-399/40756772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756772?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.