F0598-0431
TL;DR: F0598-0431 (CAS 689746-28-9) is a chemical compound with molecular formula C19H12N4O2S and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyanophenyl)-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
Also Known As: F0598-0431, N-(4-cyanophenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
| Molecular Formula | C19H12N4O2S |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 3.3416 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.06808 |
| Heavy Atoms | 26 |
| Complexity | 1263.1672 |
Chemical Identifiers
| CAS Number | 689746-28-9 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)NC4=CC=C(C=C4)C#N |
Product Overview
F0598-0431 (CAS 689746-28-9), with molecular formula C19H12N4O2S and molecular weight 360.07 g/mol. IUPAC: N-(4-cyanophenyl)-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
Chemical Property Profile of F0598-0431
Property Insights of F0598-0431
The XLogP value of 3.3416 indicates that F0598-0431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for F0598-0431. Following Lipinski's Rule of Five, F0598-0431 has 1 hydrogen bond donor(s) and 5 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 F0598-0431?
The CAS number of F0598-0431 is 689746-28-9.
What is the molecular formula of F0598-0431?
The molecular formula of F0598-0431 is C19H12N4O2S.
What is the molecular weight of F0598-0431?
The molecular weight of F0598-0431 is 360.07 g/mol.
Where can I buy F0598-0431?
You can request a quote for F0598-0431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0598-0431?
Yes, KEHONG BIO provides custom synthesis services for F0598-0431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.