AF-399/15031009
TL;DR: AF-399/15031009 (CAS 314260-46-3) is a chemical compound with molecular formula C21H27N3O2S2 and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-2-[(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-399/15031009, F0863-0598, N-cyclohexyl-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-cyclohexylacetamide, N-cyclohexyl-2-{[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
| Molecular Formula | C21H27N3O2S2 |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | 4.0638 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.15448 |
| Heavy Atoms | 28 |
| Complexity | 941.2543 |
Chemical Identifiers
| CAS Number | 314260-46-3 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3CCCCC3)SC4=C2CCCC4 |
Product Overview
AF-399/15031009 (CAS 314260-46-3), with molecular formula C21H27N3O2S2 and molecular weight 417.15 g/mol. IUPAC: N-cyclohexyl-2-[(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-399/15031009
Property Insights of AF-399/15031009
The XLogP value of 4.0638 indicates that AF-399/15031009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15031009. Following Lipinski's Rule of Five, AF-399/15031009 has 1 hydrogen bond donor(s) and 5 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-399/15031009?
The CAS number of AF-399/15031009 is 314260-46-3.
What is the molecular formula of AF-399/15031009?
The molecular formula of AF-399/15031009 is C21H27N3O2S2.
What is the molecular weight of AF-399/15031009?
The molecular weight of AF-399/15031009 is 417.15 g/mol.
Where can I buy AF-399/15031009?
You can request a quote for AF-399/15031009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15031009?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15031009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.