Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate
TL;DR: Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate (CAS 5490-56-2) is a chemical compound with molecular formula C15H22N2O3S and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydrogen carbonate;methyl-[3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-yl]azanium
Also Known As: 3-(2'-Methylaminobutyl-3')-5-methylthioindole bicarbonate, INDOLE, 3-(3-METHYLAMINO-2-BUTYL)-5-METHYLTHIO-, BICARBONATE, INDOLE,3-(3-METHYLAMINO-2-BUTYL)-5-METHYLTHIO-,BICARBONATE, hydrogen carbonate,methyl-[3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-yl]azanium, hydrogen carbonate; methyl-[3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-yl]azanium
| Molecular Formula | C15H22N2O3S |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 1.46 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.1351 |
| Heavy Atoms | 21 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 5490-56-2 |
|---|---|
| SMILES | CC(C1=CNC2=C1C=C(C=C2)SC)C(C)[NH2+]C.C(=O)(O)[O-] |
| InChIKey | OBNSUVORZAKKER-UHFFFAOYSA-N |
Product Overview
Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate (CAS 5490-56-2), with molecular formula C15H22N2O3S and molecular weight 310.14 g/mol. IUPAC: hydrogen carbonate;methyl-[3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-yl]azanium.
Chemical Property Profile of Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate
Property Insights of Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate
The XLogP value of 1.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate. Following Lipinski's Rule of Five, Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate 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 Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate?
The CAS number of Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate is 5490-56-2.
What is the molecular formula of Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate?
The molecular formula of Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate is C15H22N2O3S.
What is the molecular weight of Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate?
The molecular weight of Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate is 310.14 g/mol.
Where can I buy Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate?
You can request a quote for Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.