![methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate structure](/static/products/498/498536-46-2.png)
methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate
TL;DR: methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate (CAS 498536-46-2) is a chemical compound with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(butylcarbamoylamino)-5-methyl-1H-indole-2-carboxylate
Also Known As: methyl 3-(3-butylureido)-5-methyl-1H-indole-2-carboxylate, methyl 3-(butylcarbamoylamino)-5-methyl-1H-indole-2-carboxylate, methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate, 3-(3-Butyl-ureido)-5-methyl-1H-indole-2-carboxylic acid methyl ester, REGID_for_CID_1961761
| Molecular Formula | C16H21N3O3 |
|---|---|
| Molecular Weight | 303.16 g/mol |
| LogP | 3.18452 |
| Topological Polar Surface Area | 83.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.1583 |
| Heavy Atoms | 22 |
| Complexity | 691.24603 |
Chemical Identifiers
| CAS Number | 498536-46-2 |
|---|---|
| SMILES | CCCCNC(=O)NC1=C(NC2=C1C=C(C=C2)C)C(=O)OC |
Product Overview
methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate (CAS 498536-46-2), with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol. IUPAC: methyl 3-(butylcarbamoylamino)-5-methyl-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate
Property Insights of methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate
The XLogP value of 3.18452 indicates that methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-[(butylcarbamoyl)amino]-5-methyl-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 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate?
The CAS number of methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate is 498536-46-2.
What is the molecular formula of methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate?
The molecular formula of methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate is C16H21N3O3.
What is the molecular weight of methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate?
The molecular weight of methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate is 303.16 g/mol.
Where can I buy methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate?
You can request a quote for methyl 3-[(butylcarbamoyl)amino]-5-methyl-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 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[(butylcarbamoyl)amino]-5-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.