RefChem:1097497
TL;DR: RefChem:1097497 (CAS 99504-89-9) is a chemical compound with molecular formula C21H18N4OS and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,11,13-trimethyl-5-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-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: 3-(Cinnamylideneamino)-2,7,9-trimethylpyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 3-(cinnamylideneamino)-2,7,9-trimethyl-, RefChem:1097497
| Molecular Formula | C21H18N4OS |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 4.47876 |
| Topological Polar Surface Area | 60.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.12012 |
| Heavy Atoms | 27 |
| Complexity | 1266.5646 |
Chemical Identifiers
| CAS Number | 99504-89-9 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)/N=C/C=C/C4=CC=CC=C4)C |
Product Overview
RefChem:1097497 (CAS 99504-89-9), with molecular formula C21H18N4OS and molecular weight 374.12 g/mol. IUPAC: 4,11,13-trimethyl-5-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-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:1097497
Property Insights of RefChem:1097497
The XLogP value of 4.47876 indicates that RefChem:1097497 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:1097497. Following Lipinski's Rule of Five, RefChem:1097497 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:1097497?
The CAS number of RefChem:1097497 is 99504-89-9.
What is the molecular formula of RefChem:1097497?
The molecular formula of RefChem:1097497 is C21H18N4OS.
What is the molecular weight of RefChem:1097497?
The molecular weight of RefChem:1097497 is 374.12 g/mol.
Where can I buy RefChem:1097497?
You can request a quote for RefChem:1097497 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097497?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097497 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.