2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate
TL;DR: 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate (CAS 40968-77-2) is a chemical compound with molecular formula C22H22ClNO6 and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl 2-[3-(4-chlorobenzoyl)-6-methoxy-2-methylindol-1-yl]acetate
Also Known As: IH-Indole-1-acetic acid, 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-, 2,3-dihydroxypropyl ester, A-Glyceryl-3-p-chlorbenzoyl-6-methoxy-2-methylindol-1-yl-acetat, 2,3-dihydroxypropyl[3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1h-indol-1-yl]acetate, 2,3-Dihydroxypropyl [3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indol-1-yl]acetate, 2,3-dihydroxypropyl 2-[3-(4-chlorobenzoyl)-6-methoxy-2-methylindol-1-yl]acetate
| Molecular Formula | C22H22ClNO6 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 431.11356 |
| Heavy Atoms | 30 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 40968-77-2 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC(=O)OCC(CO)O)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | ABRLCTQFNJRQJL-UHFFFAOYSA-N |
Product Overview
2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate (CAS 40968-77-2), with molecular formula C22H22ClNO6 and molecular weight 431.11 g/mol. IUPAC: 2,3-dihydroxypropyl 2-[3-(4-chlorobenzoyl)-6-methoxy-2-methylindol-1-yl]acetate.
Chemical Property Profile of 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate
Property Insights of 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate
The XLogP value of 3.1 indicates that 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate. Following Lipinski's Rule of Five, 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate has 2 hydrogen bond donor(s) and 6 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 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate?
The CAS number of 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate is 40968-77-2.
What is the molecular formula of 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate?
The molecular formula of 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate is C22H22ClNO6.
What is the molecular weight of 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate?
The molecular weight of 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate is 431.11 g/mol.
Where can I buy 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate?
You can request a quote for 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydroxypropyl 3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.