BRN 0502939
TL;DR: BRN 0502939 (CAS 33391-26-3) is a chemical compound with molecular formula C27H31N3O2 and molecular weight 429.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(dimethylamino)ethyl]-1-[(2-methoxyphenyl)methyl-methylamino]-3-phenylindol-2-one
Also Known As: 5-22-13-00142 (Beilstein Handbook Reference), 3-(2-(Dimethylamino)ethyl)-1-((o-methoxybenzyl)methylamino)-3-phenyl-2-indolinone, 2-Indolinone, 3-(2-(dimethylamino)ethyl)-1-((o-methoxybenzyl)methylamino)-3-phenyl-, 3-(2-dimethylaminoethyl)-1-[(2-methoxyphenyl)methyl-methylamino]-3-phenylindol-2-one, 3-[2-(Dimethylamino)ethyl]-1-{[(2-methoxyphenyl)methyl](methyl)amino}-3-phenyl-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C27H31N3O2 |
|---|---|
| Molecular Weight | 429.24 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.24164 |
| Heavy Atoms | 32 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 33391-26-3 |
|---|---|
| SMILES | CN(C)CCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=CC=C3OC)C4=CC=CC=C4 |
| InChIKey | GHKCJLKXPGTUDB-UHFFFAOYSA-N |
Product Overview
BRN 0502939 (CAS 33391-26-3), with molecular formula C27H31N3O2 and molecular weight 429.24 g/mol. IUPAC: 3-[2-(dimethylamino)ethyl]-1-[(2-methoxyphenyl)methyl-methylamino]-3-phenylindol-2-one.
Chemical Property Profile of BRN 0502939
Property Insights of BRN 0502939
The XLogP value of 4.6 indicates that BRN 0502939 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 0502939 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRN 0502939 has 0 hydrogen bond donor(s) and 4 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 BRN 0502939?
The CAS number of BRN 0502939 is 33391-26-3.
What is the molecular formula of BRN 0502939?
The molecular formula of BRN 0502939 is C27H31N3O2.
What is the molecular weight of BRN 0502939?
The molecular weight of BRN 0502939 is 429.24 g/mol.
Where can I buy BRN 0502939?
You can request a quote for BRN 0502939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0502939?
Yes, KEHONG BIO provides custom synthesis services for BRN 0502939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.