ChemDiv2_001929
TL;DR: ChemDiv2_001929 (CAS 665000-42-0) is a chemical compound with molecular formula C17H12FN5O2S and molecular weight 369.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-amino-10-(3-fluorophenyl)-4-(methylamino)-8-oxo-13-oxa-3-thia-5,7-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-11-carbonitrile
Also Known As: ChemDiv2_001929, 8-amino-6-(3-fluorophenyl)-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridine-7-carbonitrile, AM-807/41931835, 12-amino-10-(3-fluorophenyl)-4-(methylamino)-8-oxo-13-oxa-3-thia-5,7-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),4,11-tetraene-11-carbonitrile, 12-Amino-10-(3-fluorophenyl)-4-(methylamino)-8-oxo-13-oxa-3-thia-5,7-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-11-carbonitrile
| Molecular Formula | C17H12FN5O2S |
|---|---|
| Molecular Weight | 369.07 g/mol |
| LogP | 2.38358 |
| Topological Polar Surface Area | 116.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.06958 |
| Heavy Atoms | 26 |
| Complexity | 1174.0905 |
Chemical Identifiers
| CAS Number | 665000-42-0 |
|---|---|
| SMILES | CNC1=NC2=C(S1)C3=C(C(C(=C(O3)N)C#N)C4=CC(=CC=C4)F)C(=O)N2 |
Product Overview
ChemDiv2_001929 (CAS 665000-42-0), with molecular formula C17H12FN5O2S and molecular weight 369.07 g/mol. IUPAC: 12-amino-10-(3-fluorophenyl)-4-(methylamino)-8-oxo-13-oxa-3-thia-5,7-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-11-carbonitrile.
Chemical Property Profile of ChemDiv2_001929
Property Insights of ChemDiv2_001929
The XLogP value of 2.38358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001929. The TPSA of 116.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001929. Following Lipinski's Rule of Five, ChemDiv2_001929 has 3 hydrogen bond donor(s) and 7 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 ChemDiv2_001929?
The CAS number of ChemDiv2_001929 is 665000-42-0.
What is the molecular formula of ChemDiv2_001929?
The molecular formula of ChemDiv2_001929 is C17H12FN5O2S.
What is the molecular weight of ChemDiv2_001929?
The molecular weight of ChemDiv2_001929 is 369.07 g/mol.
Where can I buy ChemDiv2_001929?
You can request a quote for ChemDiv2_001929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001929?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.