RefChem:1058198
TL;DR: RefChem:1058198 (CAS 73520-99-7) is a chemical compound with molecular formula C45H54ClN5O11 and molecular weight 875.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-benzamido-5-(dipropylamino)-5-oxopentanoyl]piperazin-1-ium-1-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-hydroxy-2-oxoacetate
Also Known As: 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-(4-(4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl)-1-piperazinyl)ethyl ester, (+-)-, ethanedioate (1:1), 2-[4-[4-(Benzoylamino)-5-(dipropylamino)-5-oxopentanoyl]piperazin-1-ium-1-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-hydroxy-2-oxoacetate, 1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, 2-(4-(4-(BENZO, 2-[4-[4-benzamido-5-(dipropylamino)-5-oxopentanoyl]piperazin-1-ium-1-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate; 2-hydroxy-2-oxoacetate, RefChem:1058198
| Molecular Formula | C45H54ClN5O11 |
|---|---|
| Molecular Weight | 875.35 g/mol |
| LogP | 2.16 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 875.3508 |
| Heavy Atoms | 62 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 73520-99-7 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C(CCC(=O)N1CC[NH+](CC1)CCOC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C)NC(=O)C5=CC=CC=C5.C(=O)(C(=O)[O-])O |
| InChIKey | WXJVPVCYBQVRQM-UHFFFAOYSA-N |
Product Overview
RefChem:1058198 (CAS 73520-99-7), with molecular formula C45H54ClN5O11 and molecular weight 875.35 g/mol. IUPAC: 2-[4-[4-benzamido-5-(dipropylamino)-5-oxopentanoyl]piperazin-1-ium-1-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:1058198
Property Insights of RefChem:1058198
The XLogP value of 2.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058198. The TPSA of 209.0 Ų indicates high polarity, suggesting RefChem:1058198 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058198 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1058198?
The CAS number of RefChem:1058198 is 73520-99-7.
What is the molecular formula of RefChem:1058198?
The molecular formula of RefChem:1058198 is C45H54ClN5O11.
What is the molecular weight of RefChem:1058198?
The molecular weight of RefChem:1058198 is 875.35 g/mol.
Where can I buy RefChem:1058198?
You can request a quote for RefChem:1058198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058198?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.