Buquiterine
TL;DR: Buquiterine (CAS 76536-74-8) is a chemical compound with molecular formula C18H23N3O3 and molecular weight 329.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Also Known As: Buquiterine, Buquiterinum, Buquiterin, buquiterina, Buquiterine [INN]
| Molecular Formula | C18H23N3O3 |
|---|---|
| Molecular Weight | 329.17 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.17395 |
| Heavy Atoms | 24 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 76536-74-8 |
|---|---|
| SMILES | CC(C)(C)NC1=NC(=O)N2CCC3=CC(=C(C=C3C2=C1)OC)OC |
| InChIKey | HCUWPRQGBLLKAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Buquiterine (CAS 76536-74-8), with molecular formula C18H23N3O3 and molecular weight 329.17 g/mol. IUPAC: 2-(tert-butylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
Chemical Property Profile of Buquiterine
Property Insights of Buquiterine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Buquiterine. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Buquiterine. Following Lipinski's Rule of Five, Buquiterine has 1 hydrogen bond donor(s) and 3 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 Buquiterine?
The CAS number of Buquiterine is 76536-74-8.
What is the molecular formula of Buquiterine?
The molecular formula of Buquiterine is C18H23N3O3.
What is the molecular weight of Buquiterine?
The molecular weight of Buquiterine is 329.17 g/mol.
Where can I buy Buquiterine?
You can request a quote for Buquiterine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buquiterine?
Yes, KEHONG BIO provides custom synthesis services for Buquiterine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.