RefChem:1097490
TL;DR: RefChem:1097490 (CAS 99504-83-3) is a chemical compound with molecular formula C19H14Cl2N4OS and molecular weight 416.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-(2,4-dichlorophenyl)methylideneamino]-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-((2,4-dichlorobenzylidene)amino)-2,7,9-trimethyl-, RefChem:1097490
| Molecular Formula | C19H14Cl2N4OS |
|---|---|
| Molecular Weight | 416.03 g/mol |
| LogP | 5.12046 |
| Topological Polar Surface Area | 60.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.02655 |
| Heavy Atoms | 27 |
| Complexity | 1307.0382 |
Chemical Identifiers
| CAS Number | 99504-83-3 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)/N=C/C4=C(C=C(C=C4)Cl)Cl)C |
Product Overview
RefChem:1097490 (CAS 99504-83-3), with molecular formula C19H14Cl2N4OS and molecular weight 416.03 g/mol. IUPAC: 5-[(E)-(2,4-dichlorophenyl)methylideneamino]-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:1097490
Property Insights of RefChem:1097490
The XLogP value of 5.12046 indicates that RefChem:1097490 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:1097490. Following Lipinski's Rule of Five, RefChem:1097490 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097490?
The CAS number of RefChem:1097490 is 99504-83-3.
What is the molecular formula of RefChem:1097490?
The molecular formula of RefChem:1097490 is C19H14Cl2N4OS.
What is the molecular weight of RefChem:1097490?
The molecular weight of RefChem:1097490 is 416.03 g/mol.
Where can I buy RefChem:1097490?
You can request a quote for RefChem:1097490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097490?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.