AF-399/15335173
TL;DR: AF-399/15335173 (CAS 315708-33-9) is a chemical compound with molecular formula C22H22N2O3S2 and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AF-399/15335173, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-allyl-2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-methyl-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-allyl-2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H22N2O3S2 |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 4.7898 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.10718 |
| Heavy Atoms | 29 |
| Complexity | 1165.0543 |
Chemical Identifiers
| CAS Number | 315708-33-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)CC=C |
Product Overview
AF-399/15335173 (CAS 315708-33-9), with molecular formula C22H22N2O3S2 and molecular weight 426.11 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/15335173
Property Insights of AF-399/15335173
The XLogP value of 4.7898 indicates that AF-399/15335173 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-399/15335173 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/15335173 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-399/15335173?
The CAS number of AF-399/15335173 is 315708-33-9.
What is the molecular formula of AF-399/15335173?
The molecular formula of AF-399/15335173 is C22H22N2O3S2.
What is the molecular weight of AF-399/15335173?
The molecular weight of AF-399/15335173 is 426.11 g/mol.
Where can I buy AF-399/15335173?
You can request a quote for AF-399/15335173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15335173?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15335173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.