RefChem:1058201
TL;DR: RefChem:1058201 (CAS 59209-49-3) is a chemical compound with molecular formula C55H68ClN5O16 and molecular weight 1089.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);3-[4-[3-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxypropyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate
Also Known As: 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 3-(4-(3-((4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl)oxy)propyl)-1-piperazinyl)propyl ester, (+-)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 3-[4-[3-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxypropyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate, 3-[4-[3-[2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-INDOL-3-YL]ACETYL]OXYPROPYL]PIPERAZIN-1-YL]PROPYL 4-BENZAMIDO-4-(DIPROPYLCARBAMOYL)BUTANOATE MALEATE, RefChem:1058201
| Molecular Formula | C55H68ClN5O16 |
|---|---|
| Molecular Weight | 1089.43 g/mol |
| LogP | 5.97792 |
| Topological Polar Surface Area | 288.92 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 26 |
| Exact Mass | 1089.4349 |
| Heavy Atoms | 77 |
| Complexity | 2608.8293 |
Chemical Identifiers
| CAS Number | 59209-49-3 |
|---|---|
| SMILES | CCCN(C(=O)C(NC(=O)C1=CC=CC=C1)CCC(=O)OCCCN2CCN(CC2)CCCOC(=O)CC3=C(N(C4=C3C=C(C=C4)OC)C(=O)C5=CC=C(C=C5)Cl)C)CCC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058201 (CAS 59209-49-3), with molecular formula C55H68ClN5O16 and molecular weight 1089.43 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-[3-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxypropyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate.
Chemical Property Profile of RefChem:1058201
Property Insights of RefChem:1058201
The XLogP value of 5.97792 indicates that RefChem:1058201 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 288.92 Ų indicates high polarity, suggesting RefChem:1058201 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058201 has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1058201?
The CAS number of RefChem:1058201 is 59209-49-3.
What is the molecular formula of RefChem:1058201?
The molecular formula of RefChem:1058201 is C55H68ClN5O16.
What is the molecular weight of RefChem:1058201?
The molecular weight of RefChem:1058201 is 1089.43 g/mol.
Where can I buy RefChem:1058201?
You can request a quote for RefChem:1058201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058201?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.