RefChem:297870
TL;DR: RefChem:297870 (CAS 108445-45-0) is a chemical compound with molecular formula C25H30ClN3O3 and molecular weight 455.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dimethoxy-7,7-dimethyl-2-(2,4,6-trimethylanilino)-6H-pyrimido[6,1-a]isoquinolin-4-one;hydrochloride
Also Known As: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-7,7-dimethyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, 9,10-Dimethoxy-7,7-dimethyl-2-(2,4,6-trimethylanilino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one--hydrogen chloride (1/1), 9,10-dimethoxy-7,7-dimethyl-2-(2,4,6-trimethylanilino)-6H-pyrimido[6,1-a]isoquinolin-4-one hydrochloride, RefChem:297870
| Molecular Formula | C25H30ClN3O3 |
|---|---|
| Molecular Weight | 455.20 g/mol |
| LogP | 5.30936 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.19757 |
| Heavy Atoms | 32 |
| Complexity | 1224.9052 |
Chemical Identifiers
| CAS Number | 108445-45-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC2=NC(=O)N3CC(C4=CC(=C(C=C4C3=C2)OC)OC)(C)C)C.Cl |
Product Overview
RefChem:297870 (CAS 108445-45-0), with molecular formula C25H30ClN3O3 and molecular weight 455.20 g/mol. IUPAC: 9,10-dimethoxy-7,7-dimethyl-2-(2,4,6-trimethylanilino)-6H-pyrimido[6,1-a]isoquinolin-4-one;hydrochloride.
Chemical Property Profile of RefChem:297870
Property Insights of RefChem:297870
The XLogP value of 5.30936 indicates that RefChem:297870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:297870. Following Lipinski's Rule of Five, RefChem:297870 has 1 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:297870?
The CAS number of RefChem:297870 is 108445-45-0.
What is the molecular formula of RefChem:297870?
The molecular formula of RefChem:297870 is C25H30ClN3O3.
What is the molecular weight of RefChem:297870?
The molecular weight of RefChem:297870 is 455.20 g/mol.
Where can I buy RefChem:297870?
You can request a quote for RefChem:297870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297870?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.