RefChem:1058196
TL;DR: RefChem:1058196 (CAS 135804-48-7) is a chemical compound with molecular formula C54H54Cl2N4O16 and molecular weight 1084.29 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-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-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-, 1,4-piperazinediyldi-2,1-ethanediyl ester, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid,2-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate, (E)-but-2-enedioic acid; 2-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate, (E)-but-2-enedioic acid;2-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate, 1H-Indole-3-acetic acid,1-(4-chlorobenzoyl)-5-methoxy-2-methyl-,1,4-piperazinediyldi-2,1-ethanediyl ester,(Z)-2-butenedioate (1:2)
| Molecular Formula | C54H54Cl2N4O16 |
|---|---|
| Molecular Weight | 1084.29 g/mol |
| LogP | 6.82664 |
| Topological Polar Surface Area | 270.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 1084.2911 |
| Heavy Atoms | 76 |
| Complexity | 2927.4412 |
Chemical Identifiers
| CAS Number | 135804-48-7 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCCN4CCN(CC4)CCOC(=O)CC5=C(N(C6=C5C=C(C=C6)OC)C(=O)C7=CC=C(C=C7)Cl)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058196 (CAS 135804-48-7), with molecular formula C54H54Cl2N4O16 and molecular weight 1084.29 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.
Chemical Property Profile of RefChem:1058196
Property Insights of RefChem:1058196
The XLogP value of 6.82664 indicates that RefChem:1058196 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 270.74 Ų indicates high polarity, suggesting RefChem:1058196 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058196 has 4 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:1058196?
The CAS number of RefChem:1058196 is 135804-48-7.
What is the molecular formula of RefChem:1058196?
The molecular formula of RefChem:1058196 is C54H54Cl2N4O16.
What is the molecular weight of RefChem:1058196?
The molecular weight of RefChem:1058196 is 1084.29 g/mol.
Where can I buy RefChem:1058196?
You can request a quote for RefChem:1058196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058196?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.