RefChem:83661
TL;DR: RefChem:83661 (CAS 86811-46-3) is a chemical compound with molecular formula C33H24ClNO8 and molecular weight 597.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoyl]oxybenzoic acid
Also Known As: TB 220, 2-((2-Carboxyphenoxy)carbonyl)phenyl-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate, 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[(2-carboxyphenoxy)carbonyl]phenyl ester, (2-((2-Carboxyphenoxy)carbonyl)phenyl)-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate, 2-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoyl]oxybenzoic acid
| Molecular Formula | C33H24ClNO8 |
|---|---|
| Molecular Weight | 597.12 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 597.119 |
| Heavy Atoms | 43 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 86811-46-3 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC4=CC=CC=C4C(=O)OC5=CC=CC=C5C(=O)O |
| InChIKey | HSTCMJJFYYQQRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:83661 (CAS 86811-46-3), with molecular formula C33H24ClNO8 and molecular weight 597.12 g/mol. IUPAC: 2-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoyl]oxybenzoic acid.
Chemical Property Profile of RefChem:83661
Property Insights of RefChem:83661
The XLogP value of 7.1 indicates that RefChem:83661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:83661. Following Lipinski's Rule of Five, RefChem:83661 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:83661?
The CAS number of RefChem:83661 is 86811-46-3.
What is the molecular formula of RefChem:83661?
The molecular formula of RefChem:83661 is C33H24ClNO8.
What is the molecular weight of RefChem:83661?
The molecular weight of RefChem:83661 is 597.12 g/mol.
Where can I buy RefChem:83661?
You can request a quote for RefChem:83661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:83661?
Yes, KEHONG BIO provides custom synthesis services for RefChem:83661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.