AF-399/40756798
TL;DR: AF-399/40756798 (CAS 379236-38-1) is a chemical compound with molecular formula C26H19N3O5S2 and molecular weight 517.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: AF-399/40756798, F1174-3011, N-(1,3-benzodioxol-5-yl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide, N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(5-methylfuran-2-yl)-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-yl)-2-{[5-(5-methyl-2-furyl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C26H19N3O5S2 |
|---|---|
| Molecular Weight | 517.08 g/mol |
| LogP | 5.47512 |
| Topological Polar Surface Area | 95.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.0766 |
| Heavy Atoms | 36 |
| Complexity | 1655.6896 |
Chemical Identifiers
| CAS Number | 379236-38-1 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6 |
Product Overview
AF-399/40756798 (CAS 379236-38-1), with molecular formula C26H19N3O5S2 and molecular weight 517.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of AF-399/40756798
Property Insights of AF-399/40756798
The XLogP value of 5.47512 indicates that AF-399/40756798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756798. Following Lipinski's Rule of Five, AF-399/40756798 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40756798?
The CAS number of AF-399/40756798 is 379236-38-1.
What is the molecular formula of AF-399/40756798?
The molecular formula of AF-399/40756798 is C26H19N3O5S2.
What is the molecular weight of AF-399/40756798?
The molecular weight of AF-399/40756798 is 517.08 g/mol.
Where can I buy AF-399/40756798?
You can request a quote for AF-399/40756798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756798?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.