4(2-methylindol-3-yl)butyric acid
TL;DR: 4(2-methylindol-3-yl)butyric acid (CAS 73940-96-2) is a chemical compound with molecular formula C15H21BrClN5 and molecular weight 385.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromophenyl)-9-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
Also Known As: 4(2-methylindol-3-yl)butyric acid, 1,3,5-Triazaspiro(5.5)undeca-2,4-diene, 1-(2-bromophenyl)-2,4-diamino-9-methyl-, hydrochloride, 1-(2-Bromophenyl)-2,4-diamino-9-methyl-1,3,5-triazaspiro(5.5)undeca-2,4-diene hydrochloride, 5-(2-bromophenyl)-9-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-, 1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine, 5-(2-bromophenyl)-9-methyl-, monohydrochloride
| Molecular Formula | C15H21BrClN5 |
|---|---|
| Molecular Weight | 385.07 g/mol |
| LogP | 3.2267 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 385.0669 |
| Heavy Atoms | 22 |
| Complexity | 607.7053 |
Chemical Identifiers
| CAS Number | 73940-96-2 |
|---|---|
| SMILES | CC1CCC2(CC1)N=C(N=C(N2C3=CC=CC=C3Br)N)N.Cl |
Product Overview
4(2-methylindol-3-yl)butyric acid (CAS 73940-96-2), with molecular formula C15H21BrClN5 and molecular weight 385.07 g/mol. IUPAC: 5-(2-bromophenyl)-9-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride.
Chemical Property Profile of 4(2-methylindol-3-yl)butyric acid
Property Insights of 4(2-methylindol-3-yl)butyric acid
The XLogP value of 3.2267 indicates that 4(2-methylindol-3-yl)butyric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(2-methylindol-3-yl)butyric acid. Following Lipinski's Rule of Five, 4(2-methylindol-3-yl)butyric acid 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 4(2-methylindol-3-yl)butyric acid?
The CAS number of 4(2-methylindol-3-yl)butyric acid is 73940-96-2.
What is the molecular formula of 4(2-methylindol-3-yl)butyric acid?
The molecular formula of 4(2-methylindol-3-yl)butyric acid is C15H21BrClN5.
What is the molecular weight of 4(2-methylindol-3-yl)butyric acid?
The molecular weight of 4(2-methylindol-3-yl)butyric acid is 385.07 g/mol.
Where can I buy 4(2-methylindol-3-yl)butyric acid?
You can request a quote for 4(2-methylindol-3-yl)butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(2-methylindol-3-yl)butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4(2-methylindol-3-yl)butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.