RefChem:1097494
TL;DR: RefChem:1097494 (CAS 99504-87-7) is a chemical compound with molecular formula C19H15BrN4OS and molecular weight 426.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-(2-bromophenyl)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-((o-bromobenzylidene)amino)-2,7,9-trimethyl-, RefChem:1097494
| Molecular Formula | C19H15BrN4OS |
|---|---|
| Molecular Weight | 426.01 g/mol |
| LogP | 4.57616 |
| Topological Polar Surface Area | 60.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.01498 |
| Heavy Atoms | 26 |
| Complexity | 1256.0928 |
Chemical Identifiers
| CAS Number | 99504-87-7 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)/N=C/C4=CC=CC=C4Br)C |
Product Overview
RefChem:1097494 (CAS 99504-87-7), with molecular formula C19H15BrN4OS and molecular weight 426.01 g/mol. IUPAC: 5-[(E)-(2-bromophenyl)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:1097494
Property Insights of RefChem:1097494
The XLogP value of 4.57616 indicates that RefChem:1097494 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:1097494. Following Lipinski's Rule of Five, RefChem:1097494 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:1097494?
The CAS number of RefChem:1097494 is 99504-87-7.
What is the molecular formula of RefChem:1097494?
The molecular formula of RefChem:1097494 is C19H15BrN4OS.
What is the molecular weight of RefChem:1097494?
The molecular weight of RefChem:1097494 is 426.01 g/mol.
Where can I buy RefChem:1097494?
You can request a quote for RefChem:1097494 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097494?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097494 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.