1W-0004
TL;DR: 1W-0004 (CAS 860788-94-9) is a chemical compound with molecular formula C24H25N3O3 and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-(2,3-dimethylphenyl)-4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one
Also Known As: 1W-0004, 11-(2,3-dimethylphenyl)-2,3-dimethoxy-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one, 15-(2,3-dimethylphenyl)-4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-2(7),3,5,12(16),13-pentaen-11-one, 15-(2,3-dimethylphenyl)-4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one
| Molecular Formula | C24H25N3O3 |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | 3.80204 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.1896 |
| Heavy Atoms | 30 |
| Complexity | 1164.7432 |
Chemical Identifiers
| CAS Number | 860788-94-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C3=C(C=N2)C(=O)N4CCC5=CC(=C(C=C5C4C3)OC)OC)C |
Product Overview
1W-0004 (CAS 860788-94-9), with molecular formula C24H25N3O3 and molecular weight 403.19 g/mol. IUPAC: 15-(2,3-dimethylphenyl)-4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one.
Chemical Property Profile of 1W-0004
Property Insights of 1W-0004
The XLogP value of 3.80204 indicates that 1W-0004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.59 Ų, 1W-0004 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1W-0004 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 1W-0004?
The CAS number of 1W-0004 is 860788-94-9.
What is the molecular formula of 1W-0004?
The molecular formula of 1W-0004 is C24H25N3O3.
What is the molecular weight of 1W-0004?
The molecular weight of 1W-0004 is 403.19 g/mol.
Where can I buy 1W-0004?
You can request a quote for 1W-0004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1W-0004?
Yes, KEHONG BIO provides custom synthesis services for 1W-0004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.