(E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate
TL;DR: (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate (CAS 842972-73-0) is a chemical compound with molecular formula C21H19BrN2O5 and molecular weight 458.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-1H-indole-2-carboxylate
Also Known As: (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate, methyl 5-bromo-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-1H-indole-2-carboxylate, Methyl 5-bromo-3-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylate, methyl 5-bromo-3-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C21H19BrN2O5 |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 4.3861 |
| Topological Polar Surface Area | 89.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.04773 |
| Heavy Atoms | 29 |
| Complexity | 1103.8896 |
Chemical Identifiers
| CAS Number | 842972-73-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC)OC |
Product Overview
(E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate (CAS 842972-73-0), with molecular formula C21H19BrN2O5 and molecular weight 458.05 g/mol. IUPAC: methyl 5-bromo-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-1H-indole-2-carboxylate.
Chemical Property Profile of (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate
Property Insights of (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate
The XLogP value of 4.3861 indicates that (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 5 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 (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate?
The CAS number of (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate is 842972-73-0.
What is the molecular formula of (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate?
The molecular formula of (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate is C21H19BrN2O5.
What is the molecular weight of (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate?
The molecular weight of (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate is 458.05 g/mol.
Where can I buy (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate?
You can request a quote for (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 5-bromo-3-(3-(3,4-dimethoxyphenyl)acrylamido)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.