![tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate structure](/static/products/6814/681460-32-2.webp)
tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate
TL;DR: tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate (CAS 681460-32-2) is a chemical compound with molecular formula C37H42N2O3 and molecular weight 562.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate
Also Known As: tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate, tert-butyl 4-(1-(4-(2-cyano-2-(4-isobutylphenyl)propyl)benzo
| Molecular Formula | C37H42N2O3 |
|---|---|
| Molecular Weight | 562.32 g/mol |
| LogP | 8.21668 |
| Topological Polar Surface Area | 72.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 562.3195 |
| Heavy Atoms | 42 |
| Complexity | 1581.519 |
Chemical Identifiers
| CAS Number | 681460-32-2 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)(CC2=CC=C(C=C2)C(=O)N3C=C(C4=CC=CC=C43)CCCC(=O)OC(C)(C)C)C#N |
Product Overview
tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate (CAS 681460-32-2), with molecular formula C37H42N2O3 and molecular weight 562.32 g/mol. IUPAC: tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate.
Chemical Property Profile of tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate
Property Insights of tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate
The XLogP value of 8.21668 indicates that tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.09 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate. Following Lipinski's Rule of Five, tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate?
The CAS number of tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate is 681460-32-2.
What is the molecular formula of tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate?
The molecular formula of tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate is C37H42N2O3.
What is the molecular weight of tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate?
The molecular weight of tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate is 562.32 g/mol.
Where can I buy tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate?
You can request a quote for tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 4-[1-[4-[2-cyano-2-[4-(2-methylpropyl)phenyl]propyl]benzoyl]indol-3-yl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.