AVE-5883 (R)-isomer
TL;DR: AVE-5883 (R)-isomer (CAS 209666-36-4) is a chemical compound with molecular formula C40H48Cl2N4O7 and molecular weight 766.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonyl]piperazin-1-yl]acetic acid
Also Known As: AVE-5883 (R)-isomer, 1-Piperazineacetic acid, 4-((1-(2-((3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl)ethyl)-4-phenyl-4-piperidinyl)carbonyl)-, 2-(4-(1-(2-((3R)-3-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl)ethyl)-4-phenyl-piperidine-4-carbonyl)piperazin-1-yl)acetic acid, 4-((1-(2-((3R)-3-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl)ethyl)-4-phenyl-4-piperidinyl)carbonyl)-1-piperazineacetic acid
| Molecular Formula | C40H48Cl2N4O7 |
|---|---|
| Molecular Weight | 766.29 g/mol |
| LogP | 5.4558 |
| Topological Polar Surface Area | 112.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 766.29 |
| Heavy Atoms | 53 |
| Complexity | 1769.7305 |
Chemical Identifiers
| CAS Number | 209666-36-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[C@](C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N5CCN(CC5)CC(=O)O)C6=CC(=C(C=C6)Cl)Cl |
Product Overview
AVE-5883 (R)-isomer (CAS 209666-36-4), with molecular formula C40H48Cl2N4O7 and molecular weight 766.29 g/mol. IUPAC: 2-[4-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carbonyl]piperazin-1-yl]acetic acid.
Chemical Property Profile of AVE-5883 (R)-isomer
Property Insights of AVE-5883 (R)-isomer
The XLogP value of 5.4558 indicates that AVE-5883 (R)-isomer is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AVE-5883 (R)-isomer. Following Lipinski's Rule of Five, AVE-5883 (R)-isomer has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AVE-5883 (R)-isomer?
The CAS number of AVE-5883 (R)-isomer is 209666-36-4.
What is the molecular formula of AVE-5883 (R)-isomer?
The molecular formula of AVE-5883 (R)-isomer is C40H48Cl2N4O7.
What is the molecular weight of AVE-5883 (R)-isomer?
The molecular weight of AVE-5883 (R)-isomer is 766.29 g/mol.
Where can I buy AVE-5883 (R)-isomer?
You can request a quote for AVE-5883 (R)-isomer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AVE-5883 (R)-isomer?
Yes, KEHONG BIO provides custom synthesis services for AVE-5883 (R)-isomer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.