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2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde
TL;DR: 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde (CAS 590398-05-3) is a chemical compound with molecular formula C17H17NO and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde
Also Known As: 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde, 2-(TERT-BUTYL)-1H-BENZO[G]INDOLE-3-CARBOXALDEHYDE, 1H-Benz[g]indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)- (9CI)
| Molecular Formula | C17H17NO |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 4.4311 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.13101 |
| Heavy Atoms | 19 |
| Complexity | 774.8976 |
Chemical Identifiers
| CAS Number | 590398-05-3 |
|---|---|
| SMILES | CC(C)(C)C1=C(C2=C(N1)C3=CC=CC=C3C=C2)C=O |
Product Overview
2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde (CAS 590398-05-3), with molecular formula C17H17NO and molecular weight 251.13 g/mol. IUPAC: 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde.
Chemical Property Profile of 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde
Property Insights of 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde
The XLogP value of 4.4311 indicates that 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde has 1 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 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde?
The CAS number of 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde is 590398-05-3.
What is the molecular formula of 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde?
The molecular formula of 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde is C17H17NO.
What is the molecular weight of 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde?
The molecular weight of 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde is 251.13 g/mol.
Where can I buy 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde?
You can request a quote for 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-1H-benzo[g]indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.