RefChem:1097496
TL;DR: RefChem:1097496 (CAS 99504-90-2) is a chemical compound with molecular formula C19H16N4OS and molecular weight 348.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-benzylideneamino]-4,11,13-trimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
Also Known As: Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 3-(benzylideneamino)-2,7,9-trimethyl-, 3-(Benzylideneamino)-2,7,9-trimethylpyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 3-N-Benzilidenamino-2,7,9-trimetilpirido(3',2':4,5)tieno(3,2-d)pirimidin-4(3H)-one [Italian], 5-[(E)-benzylideneamino]-4,11,13-trimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one, Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 3-((phenylmethylene)amino)-2,7,9-trimethyl-
| Molecular Formula | C19H16N4OS |
|---|---|
| Molecular Weight | 348.10 g/mol |
| LogP | 3.81366 |
| Topological Polar Surface Area | 60.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.1045 |
| Heavy Atoms | 25 |
| Complexity | 1189.2162 |
Chemical Identifiers
| CAS Number | 99504-90-2 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)/N=C/C4=CC=CC=C4)C |
Product Overview
RefChem:1097496 (CAS 99504-90-2), with molecular formula C19H16N4OS and molecular weight 348.10 g/mol. IUPAC: 5-[(E)-benzylideneamino]-4,11,13-trimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one.
Chemical Property Profile of RefChem:1097496
Property Insights of RefChem:1097496
The XLogP value of 3.81366 indicates that RefChem:1097496 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097496. Following Lipinski's Rule of Five, RefChem:1097496 has 0 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 RefChem:1097496?
The CAS number of RefChem:1097496 is 99504-90-2.
What is the molecular formula of RefChem:1097496?
The molecular formula of RefChem:1097496 is C19H16N4OS.
What is the molecular weight of RefChem:1097496?
The molecular weight of RefChem:1097496 is 348.10 g/mol.
Where can I buy RefChem:1097496?
You can request a quote for RefChem:1097496 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097496?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.