Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate
TL;DR: Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate (CAS 6267-88-5) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (E)-2-(1H-indol-3-yl)but-2-enedioate
Also Known As: Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate, dimethyl (E)-2-(1H-indol-3-yl)but-2-enedioate, RefChem:338375
| Molecular Formula | C14H13NO4 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 1.8973 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.08447 |
| Heavy Atoms | 19 |
| Complexity | 654.26465 |
Chemical Identifiers
| CAS Number | 6267-88-5 |
|---|---|
| SMILES | COC(=O)/C=C(\C1=CNC2=CC=CC=C21)/C(=O)OC |
Product Overview
Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate (CAS 6267-88-5), with molecular formula C14H13NO4 and molecular weight 259.08 g/mol. IUPAC: dimethyl (E)-2-(1H-indol-3-yl)but-2-enedioate.
Chemical Property Profile of Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate
Property Insights of Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate
The XLogP value of 1.8973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate. Following Lipinski's Rule of Five, Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate 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 Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate?
The CAS number of Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate is 6267-88-5.
What is the molecular formula of Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate?
The molecular formula of Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate is C14H13NO4.
What is the molecular weight of Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate?
The molecular weight of Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate is 259.08 g/mol.
Where can I buy Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate?
You can request a quote for Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.