ChemDiv1_020501
TL;DR: ChemDiv1_020501 (CAS 5749-92-8) is a chemical compound with molecular formula C22H21NO4 and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
Also Known As: ChemDiv1_020501, 4-(2,3,4-trimethoxyphenyl)-3,4-dihydrobenzo[h]quinolin-2(1H)-one, BAS 00915867, AB00095717-01, 4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
| Molecular Formula | C22H21NO4 |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 4.3397 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.14706 |
| Heavy Atoms | 27 |
| Complexity | 1028.2417 |
Chemical Identifiers
| CAS Number | 5749-92-8 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C2CC(=O)NC3=C2C=CC4=CC=CC=C43)OC)OC |
Product Overview
ChemDiv1_020501 (CAS 5749-92-8), with molecular formula C22H21NO4 and molecular weight 363.15 g/mol. IUPAC: 4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
Chemical Property Profile of ChemDiv1_020501
Property Insights of ChemDiv1_020501
The XLogP value of 4.3397 indicates that ChemDiv1_020501 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, ChemDiv1_020501 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_020501 has 1 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 ChemDiv1_020501?
The CAS number of ChemDiv1_020501 is 5749-92-8.
What is the molecular formula of ChemDiv1_020501?
The molecular formula of ChemDiv1_020501 is C22H21NO4.
What is the molecular weight of ChemDiv1_020501?
The molecular weight of ChemDiv1_020501 is 363.15 g/mol.
Where can I buy ChemDiv1_020501?
You can request a quote for ChemDiv1_020501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020501?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.