IFLab1_005794
TL;DR: IFLab1_005794 (CAS 799768-98-2) is a chemical compound with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-13-(3-methoxyphenyl)-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile
Also Known As: IFLab1_005794, BAS 11177909, IDI1_011197, 2-amino-9-(3-methoxyphenyl)-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-3-carbonitrile
| Molecular Formula | C19H16N4O2S |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 3.5413 |
| Topological Polar Surface Area | 101.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.0994 |
| Heavy Atoms | 26 |
| Complexity | 1097.0927 |
Chemical Identifiers
| CAS Number | 799768-98-2 |
|---|---|
| SMILES | CC1=C(C(=NC2=C1SC3=C2C(CC(=O)N3)C4=CC(=CC=C4)OC)N)C#N |
Product Overview
IFLab1_005794 (CAS 799768-98-2), with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol. IUPAC: 4-amino-13-(3-methoxyphenyl)-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile.
Chemical Property Profile of IFLab1_005794
Property Insights of IFLab1_005794
The XLogP value of 3.5413 indicates that IFLab1_005794 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.03 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005794. Following Lipinski's Rule of Five, IFLab1_005794 has 2 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 IFLab1_005794?
The CAS number of IFLab1_005794 is 799768-98-2.
What is the molecular formula of IFLab1_005794?
The molecular formula of IFLab1_005794 is C19H16N4O2S.
What is the molecular weight of IFLab1_005794?
The molecular weight of IFLab1_005794 is 364.10 g/mol.
Where can I buy IFLab1_005794?
You can request a quote for IFLab1_005794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005794?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.