N-5984
TL;DR: N-5984 (CAS 220475-76-3) is a chemical compound with molecular formula C20H22ClNO5 and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-6-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
Also Known As: J2.145.617I, (2R)-6-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, (2R)-6-((2R)-2-(((2R)-2-(3-Chlorophenyl)-2-hydroxy-ethyl)amino)propyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, (R)-6-((R)-2-(((R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)-2,3-dihydrobenzo(b)(1,4)dioxine-2-carboxylic acid, 1,4-Benzodioxin-2-carboxylic acid, 6-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)-2,3-dihydro-, (2R)-
| Molecular Formula | C20H22ClNO5 |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 2.8186 |
| Topological Polar Surface Area | 88.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.11865 |
| Heavy Atoms | 27 |
| Complexity | 812.7091 |
Chemical Identifiers
| CAS Number | 220475-76-3 |
|---|---|
| SMILES | C[C@H](CC1=CC2=C(C=C1)O[C@H](CO2)C(=O)O)NC[C@@H](C3=CC(=CC=C3)Cl)O |
Product Overview
N-5984 (CAS 220475-76-3), with molecular formula C20H22ClNO5 and molecular weight 391.12 g/mol. IUPAC: (2R)-6-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid.
Chemical Property Profile of N-5984
Property Insights of N-5984
The XLogP value of 2.8186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-5984. The TPSA of 88.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-5984. Following Lipinski's Rule of Five, N-5984 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-5984?
The CAS number of N-5984 is 220475-76-3.
What is the molecular formula of N-5984?
The molecular formula of N-5984 is C20H22ClNO5.
What is the molecular weight of N-5984?
The molecular weight of N-5984 is 391.12 g/mol.
Where can I buy N-5984?
You can request a quote for N-5984 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-5984?
Yes, KEHONG BIO provides custom synthesis services for N-5984 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.