C25H29N3O3.ClH.1/2H2O
TL;DR: C25H29N3O3.ClH.1/2H2O (CAS 80023-97-8) 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.
3-ethyl-9,10-dimethoxy-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
Also Known As: C25H29N3O3.ClH.1/2H2O, C25-H29-N3-O3.Cl-H.1/2H2-O, 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-ethyl-2-((2,4,6-trimethylphenyl)imino)-, hydrochloride, hydrate (2:2:1), 3-ethyl-9,10-dimethoxy-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one hydrochloride
| Molecular Formula | C25H30ClN3O3 |
|---|---|
| Molecular Weight | 455.20 g/mol |
| LogP | 4.48946 |
| Topological Polar Surface Area | 57.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.19757 |
| Heavy Atoms | 32 |
| Complexity | 1282.0001 |
Chemical Identifiers
| CAS Number | 80023-97-8 |
|---|---|
| SMILES | CCN1C(=NC2=C(C=C(C=C2C)C)C)C=C3C4=CC(=C(C=C4CCN3C1=O)OC)OC.Cl |
Product Overview
C25H29N3O3.ClH.1/2H2O (CAS 80023-97-8), with molecular formula C25H30ClN3O3 and molecular weight 455.20 g/mol. IUPAC: 3-ethyl-9,10-dimethoxy-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride.
Chemical Property Profile of C25H29N3O3.ClH.1/2H2O
Property Insights of C25H29N3O3.ClH.1/2H2O
The XLogP value of 4.48946 indicates that C25H29N3O3.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.75 Ų, C25H29N3O3.ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C25H29N3O3.ClH.1/2H2O has 0 hydrogen bond donor(s) and 4 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 C25H29N3O3.ClH.1/2H2O?
The CAS number of C25H29N3O3.ClH.1/2H2O is 80023-97-8.
What is the molecular formula of C25H29N3O3.ClH.1/2H2O?
The molecular formula of C25H29N3O3.ClH.1/2H2O is C25H30ClN3O3.
What is the molecular weight of C25H29N3O3.ClH.1/2H2O?
The molecular weight of C25H29N3O3.ClH.1/2H2O is 455.20 g/mol.
Where can I buy C25H29N3O3.ClH.1/2H2O?
You can request a quote for C25H29N3O3.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H29N3O3.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C25H29N3O3.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.