RefChem:268699
TL;DR: RefChem:268699 (CAS 78583-37-6) is a chemical compound with molecular formula C24H29ClN2O4 and molecular weight 444.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperidin-4-yl]-1-methyl-3H-indol-2-one;hydrochloride
Also Known As: 2H-Indol-2-one, 1,3-dihydro-3-(1-(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-hydroxyethyl)-4-piperidinyl)-1-methyl-, monohydrochloride, (R*,S*)-(+-)-, 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperidin-4-yl]-1-methyl-3H-indol-2-one hydrochloride, 3-{1-[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-2-hydroxyethyl]piperidin-4-yl}-1-methyl-1,3-dihydro-2H-indol-2-one--hydrogen chloride (1/1), RefChem:268699
| Molecular Formula | C24H29ClN2O4 |
|---|---|
| Molecular Weight | 444.18 g/mol |
| LogP | 3.0813 |
| Topological Polar Surface Area | 62.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.18158 |
| Heavy Atoms | 31 |
| Complexity | 931.30023 |
Chemical Identifiers
| CAS Number | 78583-37-6 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(C1=O)C3CCN(CC3)CC(C4COC5=CC=CC=C5O4)O.Cl |
Product Overview
RefChem:268699 (CAS 78583-37-6), with molecular formula C24H29ClN2O4 and molecular weight 444.18 g/mol. IUPAC: 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperidin-4-yl]-1-methyl-3H-indol-2-one;hydrochloride.
Chemical Property Profile of RefChem:268699
Property Insights of RefChem:268699
The XLogP value of 3.0813 indicates that RefChem:268699 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.24 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:268699. Following Lipinski's Rule of Five, RefChem:268699 has 1 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 RefChem:268699?
The CAS number of RefChem:268699 is 78583-37-6.
What is the molecular formula of RefChem:268699?
The molecular formula of RefChem:268699 is C24H29ClN2O4.
What is the molecular weight of RefChem:268699?
The molecular weight of RefChem:268699 is 444.18 g/mol.
Where can I buy RefChem:268699?
You can request a quote for RefChem:268699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268699?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.