1-(3,4,5-Trimethoxybenzoyl)indoline
TL;DR: 1-(3,4,5-Trimethoxybenzoyl)indoline (CAS 313496-16-1) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone
Also Known As: 1-(3,4,5-trimethoxybenzoyl)indoline, BAS 03076990, indolin-1-yl(3,4,5-trimethoxyphenyl)methanone, indolinyl 3,4,5-trimethoxyphenyl ketone, 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 313496-16-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC3=CC=CC=C32 |
| InChIKey | YPTWMTJCWNQSNF-UHFFFAOYSA-N |
Product Overview
1-(3,4,5-Trimethoxybenzoyl)indoline (CAS 313496-16-1), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of 1-(3,4,5-Trimethoxybenzoyl)indoline
Property Insights of 1-(3,4,5-Trimethoxybenzoyl)indoline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4,5-Trimethoxybenzoyl)indoline. With a topological polar surface area (TPSA) of 48.0 Ų, 1-(3,4,5-Trimethoxybenzoyl)indoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4,5-Trimethoxybenzoyl)indoline 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 1-(3,4,5-Trimethoxybenzoyl)indoline?
The CAS number of 1-(3,4,5-Trimethoxybenzoyl)indoline is 313496-16-1.
What is the molecular formula of 1-(3,4,5-Trimethoxybenzoyl)indoline?
The molecular formula of 1-(3,4,5-Trimethoxybenzoyl)indoline is C18H19NO4.
What is the molecular weight of 1-(3,4,5-Trimethoxybenzoyl)indoline?
The molecular weight of 1-(3,4,5-Trimethoxybenzoyl)indoline is 313.13 g/mol.
Where can I buy 1-(3,4,5-Trimethoxybenzoyl)indoline?
You can request a quote for 1-(3,4,5-Trimethoxybenzoyl)indoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4,5-Trimethoxybenzoyl)indoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4,5-Trimethoxybenzoyl)indoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.