![methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate structure](/static/products/497/497943-13-2.png)
methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate
TL;DR: methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate (CAS 497943-13-2) is a chemical compound with molecular formula C14H14BrN3O2S and molecular weight 367.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate
Also Known As: methyl 3-(3-allylthioureido)-5-bromo-1H-indole-2-carboxylate, methyl 5-bromo-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate, methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate
| Molecular Formula | C14H14BrN3O2S |
|---|---|
| Molecular Weight | 367.00 g/mol |
| LogP | 3.1894 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.99902 |
| Heavy Atoms | 21 |
| Complexity | 711.5522 |
Chemical Identifiers
| CAS Number | 497943-13-2 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=S)NCC=C |
Product Overview
methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate (CAS 497943-13-2), with molecular formula C14H14BrN3O2S and molecular weight 367.00 g/mol. IUPAC: methyl 5-bromo-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate
Property Insights of methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate
The XLogP value of 3.1894 indicates that methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate has 3 hydrogen bond donor(s) and 3 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-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The CAS number of methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate is 497943-13-2.
What is the molecular formula of methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The molecular formula of methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate is C14H14BrN3O2S.
What is the molecular weight of methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The molecular weight of methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate is 367.00 g/mol.
Where can I buy methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate?
You can request a quote for methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-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 methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-bromo-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.