3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester
TL;DR: 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester (CAS 578745-56-9) is a chemical compound with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methoxy-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate
Also Known As: methyl 3-(3-allylthioureido)-6-methoxy-1H-indole-2-carboxylate, 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester, methyl 6-methoxy-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate, methyl 6-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate
| Molecular Formula | C15H17N3O3S |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 2.4355 |
| Topological Polar Surface Area | 75.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.09906 |
| Heavy Atoms | 22 |
| Complexity | 724.1361 |
Chemical Identifiers
| CAS Number | 578745-56-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=S)NCC=C |
Product Overview
3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester (CAS 578745-56-9), with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol. IUPAC: methyl 6-methoxy-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate.
Chemical Property Profile of 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester
Property Insights of 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester
The XLogP value of 2.4355 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester. The TPSA of 75.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester has 3 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 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester?
The CAS number of 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester is 578745-56-9.
What is the molecular formula of 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester?
The molecular formula of 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester is C15H17N3O3S.
What is the molecular weight of 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester?
The molecular weight of 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester is 319.10 g/mol.
Where can I buy 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester?
You can request a quote for 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Allyl-thioureido)-6-methoxy-1H-indole-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.