RefChem:1058199
TL;DR: RefChem:1058199 (CAS 135804-46-5) is a chemical compound with molecular formula C34H38ClN3O12 and molecular weight 715.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Also Known As: 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate, RefChem:1058199
| Molecular Formula | C34H38ClN3O12 |
|---|---|
| Molecular Weight | 715.21 g/mol |
| LogP | 3.05692 |
| Topological Polar Surface Area | 213.21 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 715.2144 |
| Heavy Atoms | 50 |
| Complexity | 1673.9207 |
Chemical Identifiers
| CAS Number | 135804-46-5 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCCN4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058199 (CAS 135804-46-5), with molecular formula C34H38ClN3O12 and molecular weight 715.21 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.
Chemical Property Profile of RefChem:1058199
Property Insights of RefChem:1058199
The XLogP value of 3.05692 indicates that RefChem:1058199 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.21 Ų indicates high polarity, suggesting RefChem:1058199 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058199 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1058199?
The CAS number of RefChem:1058199 is 135804-46-5.
What is the molecular formula of RefChem:1058199?
The molecular formula of RefChem:1058199 is C34H38ClN3O12.
What is the molecular weight of RefChem:1058199?
The molecular weight of RefChem:1058199 is 715.21 g/mol.
Where can I buy RefChem:1058199?
You can request a quote for RefChem:1058199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058199?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.