methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate
TL;DR: methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate (CAS 72014-01-8) is a chemical compound with molecular formula C15H17NO6 and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate
Also Known As: methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate, 1H-Indole-2-carboxylic acid, 5,6-bis(acetyloxy)-2, 3-dihydro-2-methyl-, methyl ester, Methyl 5,6-bis(acetyloxy)-2-methyl-2,3-dihydro-1H-indole-2-carboxylate, 1H-Indole-2-carboxylic acid,6-bis(acetyloxy)-2,3-dihydro-2-methyl-, methyl ester
| Molecular Formula | C15H17NO6 |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.1056 |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 72014-01-8 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C2C(=C1)CC(N2)(C)C(=O)OC)OC(=O)C |
| InChIKey | ROHZHZUPUYTOST-UHFFFAOYSA-N |
Product Overview
methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate (CAS 72014-01-8), with molecular formula C15H17NO6 and molecular weight 307.11 g/mol. IUPAC: methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate.
Chemical Property Profile of methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate
Property Insights of methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate. Following Lipinski's Rule of Five, methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate has 1 hydrogen bond donor(s) and 7 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 methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate?
The CAS number of methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate is 72014-01-8.
What is the molecular formula of methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate?
The molecular formula of methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate is C15H17NO6.
What is the molecular weight of methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate?
The molecular weight of methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate is 307.11 g/mol.
Where can I buy methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate?
You can request a quote for methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5,6-diacetyloxy-2-methyl-1,3-dihydroindole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.