Butanedioic acid, 1H-indol-3-yl-, dimethyl ester
TL;DR: Butanedioic acid, 1H-indol-3-yl-, dimethyl ester (CAS 100711-44-2) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1H-indol-3-yl)butanedioate
Also Known As: Butanedioic acid, 1H-indol-3-yl-, dimethyl ester, dimethyl 2-(1H-indol-3-yl)butanedioate, Butanedioic acid, 2-(1H-indol-3-yl)-, 1,4-dimethyl ester
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 100711-44-2 |
|---|---|
| SMILES | COC(=O)CC(C1=CNC2=CC=CC=C21)C(=O)OC |
| InChIKey | DBPIJOIVTSVJDZ-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, 1H-indol-3-yl-, dimethyl ester (CAS 100711-44-2), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: dimethyl 2-(1H-indol-3-yl)butanedioate.
Chemical Property Profile of Butanedioic acid, 1H-indol-3-yl-, dimethyl ester
Property Insights of Butanedioic acid, 1H-indol-3-yl-, dimethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 1H-indol-3-yl-, dimethyl ester. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 1H-indol-3-yl-, dimethyl ester. Following Lipinski's Rule of Five, Butanedioic acid, 1H-indol-3-yl-, dimethyl ester has 1 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 Butanedioic acid, 1H-indol-3-yl-, dimethyl ester?
The CAS number of Butanedioic acid, 1H-indol-3-yl-, dimethyl ester is 100711-44-2.
What is the molecular formula of Butanedioic acid, 1H-indol-3-yl-, dimethyl ester?
The molecular formula of Butanedioic acid, 1H-indol-3-yl-, dimethyl ester is C14H15NO4.
What is the molecular weight of Butanedioic acid, 1H-indol-3-yl-, dimethyl ester?
The molecular weight of Butanedioic acid, 1H-indol-3-yl-, dimethyl ester is 261.10 g/mol.
Where can I buy Butanedioic acid, 1H-indol-3-yl-, dimethyl ester?
You can request a quote for Butanedioic acid, 1H-indol-3-yl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 1H-indol-3-yl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 1H-indol-3-yl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.