AF-399/40756820
TL;DR: AF-399/40756820 (CAS 379236-39-2) is a chemical compound with molecular formula C31H25N3O3S2 and molecular weight 551.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-5-(5-methylfuran-2-yl)-3-phenylthieno[2,3-d]pyrimidin-4-one
Also Known As: AF-399/40756820, 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-5-(5-methylfuran-2-yl)-3-phenylthieno[2,3-d]pyrimidin-4-one, F1174-3012, 2-((2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)-5-(5-methylfuran-2-yl)-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-5-(5-methylfuran-2-yl)-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C31H25N3O3S2 |
|---|---|
| Molecular Weight | 551.13 g/mol |
| LogP | 7.39816 |
| Topological Polar Surface Area | 70.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 551.1337 |
| Heavy Atoms | 39 |
| Complexity | 1879.3616 |
Chemical Identifiers
| CAS Number | 379236-39-2 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=C(N(C(=C4)C)C5=CC=CC=C5)C)C6=CC=CC=C6 |
Product Overview
AF-399/40756820 (CAS 379236-39-2), with molecular formula C31H25N3O3S2 and molecular weight 551.13 g/mol. IUPAC: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-5-(5-methylfuran-2-yl)-3-phenylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/40756820
Property Insights of AF-399/40756820
The XLogP value of 7.39816 indicates that AF-399/40756820 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756820. Following Lipinski's Rule of Five, AF-399/40756820 has 0 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-399/40756820?
The CAS number of AF-399/40756820 is 379236-39-2.
What is the molecular formula of AF-399/40756820?
The molecular formula of AF-399/40756820 is C31H25N3O3S2.
What is the molecular weight of AF-399/40756820?
The molecular weight of AF-399/40756820 is 551.13 g/mol.
Where can I buy AF-399/40756820?
You can request a quote for AF-399/40756820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756820?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.