AF-399/13909107
TL;DR: AF-399/13909107 (CAS 356569-24-9) is a chemical compound with molecular formula C18H16N2O2S2 and molecular weight 356.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: AF-399/13909107, 1,3-benzodioxol-5-ylmethyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide, F0745-0694, 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraene
| Molecular Formula | C18H16N2O2S2 |
|---|---|
| Molecular Weight | 356.07 g/mol |
| LogP | 4.5911 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.0653 |
| Heavy Atoms | 24 |
| Complexity | 922.76794 |
Chemical Identifiers
| CAS Number | 356569-24-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=CC5=C(C=C4)OCO5 |
Product Overview
AF-399/13909107 (CAS 356569-24-9), with molecular formula C18H16N2O2S2 and molecular weight 356.07 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of AF-399/13909107
Property Insights of AF-399/13909107
The XLogP value of 4.5911 indicates that AF-399/13909107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, AF-399/13909107 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/13909107 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-399/13909107?
The CAS number of AF-399/13909107 is 356569-24-9.
What is the molecular formula of AF-399/13909107?
The molecular formula of AF-399/13909107 is C18H16N2O2S2.
What is the molecular weight of AF-399/13909107?
The molecular weight of AF-399/13909107 is 356.07 g/mol.
Where can I buy AF-399/13909107?
You can request a quote for AF-399/13909107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13909107?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13909107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.