Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate
TL;DR: Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate (CAS 20465-88-7) is a chemical compound with molecular formula C22H35N3O3S and molecular weight 421.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-butylpyrrolidin-1-ium-2-yl)-1H-indole;N-cyclohexylsulfamate
Also Known As: 3-(1-Butyl-2-pyrrolidinyl)indole cyclohexanesulfamate, INDOLE, 3-(1-BUTYL-2-PYRROLIDINYL)-, CYCLOHEXANESULFAMATE, 3-(1-butylpyrrolidin-1-ium-2-yl)-1H-indole; N-cyclohexylsulfamate, Cyclohexanesulfamic acid, compd. with 3-(1-butyl-2-pyrrolidinyl)indole (1:1), Sulfamic acid, cyclohexyl-, compd. with 3-(1-butyl-2-pyrrolidinyl)-1H-indole (1:1)
| Molecular Formula | C22H35N3O3S |
|---|---|
| Molecular Weight | 421.24 g/mol |
| LogP | 3.06 |
| Topological Polar Surface Area | 97.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.2399 |
| Heavy Atoms | 29 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 20465-88-7 |
|---|---|
| SMILES | CCCC[NH+]1CCCC1C2=CNC3=CC=CC=C32.C1CCC(CC1)NS(=O)(=O)[O-] |
| InChIKey | XHZUSMBAWAVCRE-UHFFFAOYSA-N |
Product Overview
Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate (CAS 20465-88-7), with molecular formula C22H35N3O3S and molecular weight 421.24 g/mol. IUPAC: 3-(1-butylpyrrolidin-1-ium-2-yl)-1H-indole;N-cyclohexylsulfamate.
Chemical Property Profile of Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate
Property Insights of Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate
The XLogP value of 3.06 indicates that Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate. Following Lipinski's Rule of Five, Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate 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-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate?
The CAS number of Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate is 20465-88-7.
What is the molecular formula of Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate?
The molecular formula of Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate is C22H35N3O3S.
What is the molecular weight of Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate?
The molecular weight of Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate is 421.24 g/mol.
Where can I buy Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate?
You can request a quote for Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.