BRN 0466648
TL;DR: BRN 0466648 (CAS 40714-39-4) is a chemical compound with molecular formula C29H34ClN3O2 and molecular weight 491.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chloro-2-methoxyphenyl)methyl-methylamino]-3-[2-(diethylamino)ethyl]-3-phenylindol-2-one
Also Known As: 5-22-13-00142 (Beilstein Handbook Reference), 1-((p-Chloro-2-methoxybenzyl)methylamino)-3-(2-(diethylamino)ethyl)-3-phenyl-2-indolinone, 2-Indolinone, 1-((p-chloro-2-methoxybenzyl)methylamino)-3-(2-(diethylamino)ethyl)-3-phenyl-, 1-[(4-chloro-2-methoxyphenyl)methyl-methylamino]-3-(2-diethylaminoethyl)-3-phenylindol-2-one, 1-{[(4-Chloro-2-methoxyphenyl)methyl](methyl)amino}-3-[2-(diethylamino)ethyl]-3-phenyl-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C29H34ClN3O2 |
|---|---|
| Molecular Weight | 491.23 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 491.23395 |
| Heavy Atoms | 35 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 40714-39-4 |
|---|---|
| SMILES | CCN(CC)CCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=C(C=C(C=C3)Cl)OC)C4=CC=CC=C4 |
| InChIKey | RCGAYODDGQITRJ-UHFFFAOYSA-N |
Product Overview
BRN 0466648 (CAS 40714-39-4), with molecular formula C29H34ClN3O2 and molecular weight 491.23 g/mol. IUPAC: 1-[(4-chloro-2-methoxyphenyl)methyl-methylamino]-3-[2-(diethylamino)ethyl]-3-phenylindol-2-one.
Chemical Property Profile of BRN 0466648
Property Insights of BRN 0466648
The XLogP value of 5.9 indicates that BRN 0466648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.0 Ų, BRN 0466648 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRN 0466648 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRN 0466648?
The CAS number of BRN 0466648 is 40714-39-4.
What is the molecular formula of BRN 0466648?
The molecular formula of BRN 0466648 is C29H34ClN3O2.
What is the molecular weight of BRN 0466648?
The molecular weight of BRN 0466648 is 491.23 g/mol.
Where can I buy BRN 0466648?
You can request a quote for BRN 0466648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0466648?
Yes, KEHONG BIO provides custom synthesis services for BRN 0466648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.