RefChem:1097492
TL;DR: RefChem:1097492 (CAS 99504-88-8) is a chemical compound with molecular formula C20H16N4O3S and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-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: 5-[(E)-1,3-Benzodioxol-5-ylmethylideneamino]-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-((3,4-(methylenedioxy)benzylidene)amino)-2,7,9-trimethyl-, RefChem:1097492
| Molecular Formula | C20H16N4O3S |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 3.54236 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.0943 |
| Heavy Atoms | 28 |
| Complexity | 1353.5648 |
Chemical Identifiers
| CAS Number | 99504-88-8 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)/N=C/C4=CC5=C(C=C4)OCO5)C |
Product Overview
RefChem:1097492 (CAS 99504-88-8), with molecular formula C20H16N4O3S and molecular weight 392.09 g/mol. IUPAC: 5-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-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:1097492
Property Insights of RefChem:1097492
The XLogP value of 3.54236 indicates that RefChem:1097492 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097492. Following Lipinski's Rule of Five, RefChem:1097492 has 0 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 RefChem:1097492?
The CAS number of RefChem:1097492 is 99504-88-8.
What is the molecular formula of RefChem:1097492?
The molecular formula of RefChem:1097492 is C20H16N4O3S.
What is the molecular weight of RefChem:1097492?
The molecular weight of RefChem:1097492 is 392.09 g/mol.
Where can I buy RefChem:1097492?
You can request a quote for RefChem:1097492 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097492?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.