N-butylisoindoline
TL;DR: N-butylisoindoline (CAS 20138-24-3) is a chemical compound with molecular formula C12H17N and molecular weight 175.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1,3-dihydroisoindole
Also Known As: N-butylisoindoline, 2-n-butylisoindoline, 2-Butylisoindoline, 2-butyl-1,3-dihydroisoindole
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 2.8023 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 255.2079 |
Chemical Identifiers
| CAS Number | 20138-24-3 |
|---|---|
| SMILES | CCCCN1CC2=CC=CC=C2C1 |
Product Overview
N-butylisoindoline (CAS 20138-24-3), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: 2-butyl-1,3-dihydroisoindole.
Chemical Property Profile of N-butylisoindoline
Property Insights of N-butylisoindoline
The XLogP value of 2.8023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butylisoindoline. With a topological polar surface area (TPSA) of 3.24 Ų, N-butylisoindoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butylisoindoline has 0 hydrogen bond donor(s) and 1 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 N-butylisoindoline?
The CAS number of N-butylisoindoline is 20138-24-3.
What is the molecular formula of N-butylisoindoline?
The molecular formula of N-butylisoindoline is C12H17N.
What is the molecular weight of N-butylisoindoline?
The molecular weight of N-butylisoindoline is 175.14 g/mol.
Where can I buy N-butylisoindoline?
You can request a quote for N-butylisoindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butylisoindoline?
Yes, KEHONG BIO provides custom synthesis services for N-butylisoindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.