ChemDiv1_002682
TL;DR: ChemDiv1_002682 (CAS 372974-68-0) is a chemical compound with molecular formula C28H29NO4 and molecular weight 443.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-tert-butylbenzoyl)oxy-1,2-dimethylbenzo[g]indole-3-carboxylate
Also Known As: ChemDiv1_002682, ethyl 5-(4-tert-butylbenzoyl)oxy-1,2-dimethylbenzo[g]indole-3-carboxylate, ethyl 5-((4-(tert-butyl)benzoyl)oxy)-1,2-dimethyl-1H-benzo[g]indole-3-carboxylate, ETHYL 5-(4-TERT-BUTYLBENZOYLOXY)-1,2-DIMETHYL-1H-BENZO[G]INDOLE-3-CARBOXYLATE, ethyl 5-{[(4-tert-butylphenyl)carbonyl]oxy}-1,2-dimethyl-1H-benzo[g]indole-3-carboxylate
| Molecular Formula | C28H29NO4 |
|---|---|
| Molecular Weight | 443.21 g/mol |
| LogP | 6.33332 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.20966 |
| Heavy Atoms | 33 |
| Complexity | 1371.5498 |
Chemical Identifiers
| CAS Number | 372974-68-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)C(C)(C)C)C)C |
Product Overview
ChemDiv1_002682 (CAS 372974-68-0), with molecular formula C28H29NO4 and molecular weight 443.21 g/mol. IUPAC: ethyl 5-(4-tert-butylbenzoyl)oxy-1,2-dimethylbenzo[g]indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_002682
Property Insights of ChemDiv1_002682
The XLogP value of 6.33332 indicates that ChemDiv1_002682 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_002682 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002682 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_002682?
The CAS number of ChemDiv1_002682 is 372974-68-0.
What is the molecular formula of ChemDiv1_002682?
The molecular formula of ChemDiv1_002682 is C28H29NO4.
What is the molecular weight of ChemDiv1_002682?
The molecular weight of ChemDiv1_002682 is 443.21 g/mol.
Where can I buy ChemDiv1_002682?
You can request a quote for ChemDiv1_002682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002682?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.