dimethyl 1H-indole-1,3-dicarboxylate
TL;DR: dimethyl 1H-indole-1,3-dicarboxylate (CAS 363591-06-4) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl indole-1,3-dicarboxylate
Also Known As: dimethyl 1H-indole-1,3-dicarboxylate, dimethyl indole-1,3-dicarboxylate, SDCCGMLS-0007579.P002, Indole-1,3-dicarboxylic acid dimethyl ester, BAS 02078390
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 363591-06-4 |
|---|---|
| SMILES | COC(=O)C1=CN(C2=CC=CC=C21)C(=O)OC |
| InChIKey | REWBPNPSPSCWLS-UHFFFAOYSA-N |
Product Overview
dimethyl 1H-indole-1,3-dicarboxylate (CAS 363591-06-4), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: dimethyl indole-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 1H-indole-1,3-dicarboxylate
Property Insights of dimethyl 1H-indole-1,3-dicarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 1H-indole-1,3-dicarboxylate. With a topological polar surface area (TPSA) of 57.5 Ų, dimethyl 1H-indole-1,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 1H-indole-1,3-dicarboxylate 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 dimethyl 1H-indole-1,3-dicarboxylate?
The CAS number of dimethyl 1H-indole-1,3-dicarboxylate is 363591-06-4.
What is the molecular formula of dimethyl 1H-indole-1,3-dicarboxylate?
The molecular formula of dimethyl 1H-indole-1,3-dicarboxylate is C12H11NO4.
What is the molecular weight of dimethyl 1H-indole-1,3-dicarboxylate?
The molecular weight of dimethyl 1H-indole-1,3-dicarboxylate is 233.07 g/mol.
Where can I buy dimethyl 1H-indole-1,3-dicarboxylate?
You can request a quote for dimethyl 1H-indole-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 1H-indole-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1H-indole-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.