AF-399/13909098
TL;DR: AF-399/13909098 (CAS 307512-92-1) is a chemical compound with molecular formula C21H20N2O3S2 and molecular weight 412.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AF-399/13909098, 3-ALLYL-2-[(1,3-BENZODIOXOL-5-YLMETHYL)SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethylthio)-3-prop-2-enyl-3,5,6,7,8-pentahy drobenzo[b]thiopheno[2,3-d]pyrimidin-4-one, 5-[(2H-1,3-benzodioxol-5-ylmethyl)sulfanyl]-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C21H20N2O3S2 |
|---|---|
| Molecular Weight | 412.09 g/mol |
| LogP | 4.5438 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.09152 |
| Heavy Atoms | 28 |
| Complexity | 1132.8616 |
Chemical Identifiers
| CAS Number | 307512-92-1 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC3=CC4=C(C=C3)OCO4)SC5=C2CCCC5 |
Product Overview
AF-399/13909098 (CAS 307512-92-1), with molecular formula C21H20N2O3S2 and molecular weight 412.09 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/13909098
Property Insights of AF-399/13909098
The XLogP value of 4.5438 indicates that AF-399/13909098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, AF-399/13909098 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/13909098 has 0 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-399/13909098?
The CAS number of AF-399/13909098 is 307512-92-1.
What is the molecular formula of AF-399/13909098?
The molecular formula of AF-399/13909098 is C21H20N2O3S2.
What is the molecular weight of AF-399/13909098?
The molecular weight of AF-399/13909098 is 412.09 g/mol.
Where can I buy AF-399/13909098?
You can request a quote for AF-399/13909098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13909098?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13909098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.