ChemDiv3_009906
TL;DR: ChemDiv3_009906 (CAS 904451-18-9) is a chemical compound with molecular formula C27H23NO4 and molecular weight 425.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3,4-dimethylbenzoyl)-5-[(3-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
Also Known As: ChemDiv3_009906, IDI1_027816, 7-(3,4-dimethylbenzoyl)-5-[(3-methylphenyl)methyl]-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-8-one, BRD-K99162092-001-01-2, F3222-1944
| Molecular Formula | C27H23NO4 |
|---|---|
| Molecular Weight | 425.16 g/mol |
| LogP | 4.93476 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.16272 |
| Heavy Atoms | 32 |
| Complexity | 1448.4982 |
Chemical Identifiers
| CAS Number | 904451-18-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C=C(C(=O)C3=CC4=C(C=C32)OCO4)C(=O)C5=CC(=C(C=C5)C)C |
Product Overview
ChemDiv3_009906 (CAS 904451-18-9), with molecular formula C27H23NO4 and molecular weight 425.16 g/mol. IUPAC: 7-(3,4-dimethylbenzoyl)-5-[(3-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one.
Chemical Property Profile of ChemDiv3_009906
Property Insights of ChemDiv3_009906
The XLogP value of 4.93476 indicates that ChemDiv3_009906 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, ChemDiv3_009906 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_009906 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 ChemDiv3_009906?
The CAS number of ChemDiv3_009906 is 904451-18-9.
What is the molecular formula of ChemDiv3_009906?
The molecular formula of ChemDiv3_009906 is C27H23NO4.
What is the molecular weight of ChemDiv3_009906?
The molecular weight of ChemDiv3_009906 is 425.16 g/mol.
Where can I buy ChemDiv3_009906?
You can request a quote for ChemDiv3_009906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009906?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.