AF-399/40756941
TL;DR: AF-399/40756941 (CAS 379236-68-7) is a chemical compound with molecular formula C23H21N3O3S2 and molecular weight 451.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
Also Known As: AF-399/40756941, 2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide, F1174-3041, 2-((3-allyl-5-(5-methylfuran-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide, 2-{[5-(5-methylfuran-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
| Molecular Formula | C23H21N3O3S2 |
|---|---|
| Molecular Weight | 451.10 g/mol |
| LogP | 5.25164 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.10245 |
| Heavy Atoms | 31 |
| Complexity | 1333.5889 |
Chemical Identifiers
| CAS Number | 379236-68-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=C(O4)C)C(=O)N2CC=C |
Product Overview
AF-399/40756941 (CAS 379236-68-7), with molecular formula C23H21N3O3S2 and molecular weight 451.10 g/mol. IUPAC: 2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.
Chemical Property Profile of AF-399/40756941
Property Insights of AF-399/40756941
The XLogP value of 5.25164 indicates that AF-399/40756941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756941. Following Lipinski's Rule of Five, AF-399/40756941 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40756941?
The CAS number of AF-399/40756941 is 379236-68-7.
What is the molecular formula of AF-399/40756941?
The molecular formula of AF-399/40756941 is C23H21N3O3S2.
What is the molecular weight of AF-399/40756941?
The molecular weight of AF-399/40756941 is 451.10 g/mol.
Where can I buy AF-399/40756941?
You can request a quote for AF-399/40756941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756941?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.