RefChem:239022
TL;DR: RefChem:239022 (CAS 73521-06-9) is a chemical compound with molecular formula C32H38ClN3O13 and molecular weight 707.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;oxalic acid
Also Known As: 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl ester, ethanedioate (1:2) (salt), 3-[4-(2-Hydroxyethyl)piperazin-1-yl]propyl2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate; oxalic acid, 1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, 3-(4-(2-HYDROX, 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate; oxalic acid, Oxalic acid--3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate (2/1)
| Molecular Formula | C32H38ClN3O13 |
|---|---|
| Molecular Weight | 707.21 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 707.2093 |
| Heavy Atoms | 49 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 73521-06-9 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCCCN4CCN(CC4)CCO.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | RCJSTWGTJJTFGU-UHFFFAOYSA-N |
Product Overview
RefChem:239022 (CAS 73521-06-9), with molecular formula C32H38ClN3O13 and molecular weight 707.21 g/mol. IUPAC: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;oxalic acid.
Chemical Property Profile of RefChem:239022
Property Insights of RefChem:239022
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239022. The TPSA of 233.0 Ų indicates high polarity, suggesting RefChem:239022 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:239022 has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:239022?
The CAS number of RefChem:239022 is 73521-06-9.
What is the molecular formula of RefChem:239022?
The molecular formula of RefChem:239022 is C32H38ClN3O13.
What is the molecular weight of RefChem:239022?
The molecular weight of RefChem:239022 is 707.21 g/mol.
Where can I buy RefChem:239022?
You can request a quote for RefChem:239022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239022?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.