ChemDiv1_002949
TL;DR: ChemDiv1_002949 (CAS 374099-74-8) is a chemical compound with molecular formula C29H31NO5 and molecular weight 473.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-butyl-2-methyl-5-[2-(2-methylphenoxy)acetyl]oxybenzo[g]indole-3-carboxylate
Also Known As: ChemDiv1_002949, ethyl 1-butyl-2-methyl-5-(2-(o-tolyloxy)acetoxy)-1H-benzo[g]indole-3-carboxylate, ethyl 1-butyl-2-methyl-5-[2-(2-methylphenoxy)acetyl]oxybenzo[g]indole-3-carboxylate, ethyl 1-butyl-2-methyl-5-{[(2-methylphenoxy)acetyl]oxy}-1H-benzo[g]indole-3-carboxylate, ETHYL 1-BUTYL-2-METHYL-5-{[2-(2-METHYLPHENOXY)ACETYL]OXY}-1H-BENZO[G]INDOLE-3-CARBOXYLATE
| Molecular Formula | C29H31NO5 |
|---|---|
| Molecular Weight | 473.22 g/mol |
| LogP | 6.37254 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.2202 |
| Heavy Atoms | 35 |
| Complexity | 1385.1127 |
Chemical Identifiers
| CAS Number | 374099-74-8 |
|---|---|
| SMILES | CCCCN1C(=C(C2=C1C3=CC=CC=C3C(=C2)OC(=O)COC4=CC=CC=C4C)C(=O)OCC)C |
Product Overview
ChemDiv1_002949 (CAS 374099-74-8), with molecular formula C29H31NO5 and molecular weight 473.22 g/mol. IUPAC: ethyl 1-butyl-2-methyl-5-[2-(2-methylphenoxy)acetyl]oxybenzo[g]indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_002949
Property Insights of ChemDiv1_002949
The XLogP value of 6.37254 indicates that ChemDiv1_002949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002949. Following Lipinski's Rule of Five, ChemDiv1_002949 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002949?
The CAS number of ChemDiv1_002949 is 374099-74-8.
What is the molecular formula of ChemDiv1_002949?
The molecular formula of ChemDiv1_002949 is C29H31NO5.
What is the molecular weight of ChemDiv1_002949?
The molecular weight of ChemDiv1_002949 is 473.22 g/mol.
Where can I buy ChemDiv1_002949?
You can request a quote for ChemDiv1_002949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002949?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.