AF-399/40924096
TL;DR: AF-399/40924096 (CAS 496025-26-4) is a chemical compound with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: AF-399/40924096, F1174-1064, 2-((3-allyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide, N-[(furan-2-yl)methyl]-2-{[11-methyl-3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide, N-(furan-2-ylmethyl)-2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 3.7703 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 1098.7622 |
Chemical Identifiers
| CAS Number | 496025-26-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NCC4=CC=CO4)CC=C |
Product Overview
AF-399/40924096 (CAS 496025-26-4), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: N-(furan-2-ylmethyl)-2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AF-399/40924096
Property Insights of AF-399/40924096
The XLogP value of 3.7703 indicates that AF-399/40924096 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-399/40924096. Following Lipinski's Rule of Five, AF-399/40924096 has 1 hydrogen bond donor(s) and 6 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-399/40924096?
The CAS number of AF-399/40924096 is 496025-26-4.
What is the molecular formula of AF-399/40924096?
The molecular formula of AF-399/40924096 is C21H23N3O3S2.
What is the molecular weight of AF-399/40924096?
The molecular weight of AF-399/40924096 is 429.12 g/mol.
Where can I buy AF-399/40924096?
You can request a quote for AF-399/40924096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40924096?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40924096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.