ChemDiv1_002817
TL;DR: ChemDiv1_002817 (CAS 372976-91-5) is a chemical compound with molecular formula C25H31NO4 and molecular weight 409.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-butyl-5-(2,2-dimethylpropanoyloxy)-2-methylbenzo[g]indole-3-carboxylate
Also Known As: ChemDiv1_002817, ethyl 1-butyl-5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-1H-benzo[g]indole-3-carboxylate, ethyl 1-butyl-2-methyl-5-(pivaloyloxy)-1H-benzo[g]indole-3-carboxylate, ethyl 1-butyl-5-(2,2-dimethylpropanoyloxy)-2-methylbenzo[g]indole-3-carboxylate
| Molecular Formula | C25H31NO4 |
|---|---|
| Molecular Weight | 409.23 g/mol |
| LogP | 6.03122 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.2253 |
| Heavy Atoms | 30 |
| Complexity | 1101.9628 |
Chemical Identifiers
| CAS Number | 372976-91-5 |
|---|---|
| SMILES | CCCCN1C(=C(C2=C1C3=CC=CC=C3C(=C2)OC(=O)C(C)(C)C)C(=O)OCC)C |
Product Overview
ChemDiv1_002817 (CAS 372976-91-5), with molecular formula C25H31NO4 and molecular weight 409.23 g/mol. IUPAC: ethyl 1-butyl-5-(2,2-dimethylpropanoyloxy)-2-methylbenzo[g]indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_002817
Property Insights of ChemDiv1_002817
The XLogP value of 6.03122 indicates that ChemDiv1_002817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, ChemDiv1_002817 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002817 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 ChemDiv1_002817?
The CAS number of ChemDiv1_002817 is 372976-91-5.
What is the molecular formula of ChemDiv1_002817?
The molecular formula of ChemDiv1_002817 is C25H31NO4.
What is the molecular weight of ChemDiv1_002817?
The molecular weight of ChemDiv1_002817 is 409.23 g/mol.
Where can I buy ChemDiv1_002817?
You can request a quote for ChemDiv1_002817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002817?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.