AF-399/13907017
TL;DR: AF-399/13907017 (CAS 307511-62-2) is a chemical compound with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
Also Known As: AF-399/13907017, N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine, (2-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)ethyl)-5,6,7-trihydrocyclopenta[1,2-d]py rimidino[4,5-b]thiophen-4-ylamine, N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.6058 |
| Topological Polar Surface Area | 56.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 937.8091 |
Chemical Identifiers
| CAS Number | 307511-62-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=NC=NC(=C23)NCCC4=CC5=C(C=C4)OCCO5 |
Product Overview
AF-399/13907017 (CAS 307511-62-2), with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol. IUPAC: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.
Chemical Property Profile of AF-399/13907017
Property Insights of AF-399/13907017
The XLogP value of 3.6058 indicates that AF-399/13907017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.27 Ų, AF-399/13907017 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/13907017 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-399/13907017?
The CAS number of AF-399/13907017 is 307511-62-2.
What is the molecular formula of AF-399/13907017?
The molecular formula of AF-399/13907017 is C19H19N3O2S.
What is the molecular weight of AF-399/13907017?
The molecular weight of AF-399/13907017 is 353.12 g/mol.
Where can I buy AF-399/13907017?
You can request a quote for AF-399/13907017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13907017?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13907017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.