RefChem:262101
TL;DR: RefChem:262101 (CAS 40713-82-4) is a chemical compound with molecular formula C22H30ClN3O and molecular weight 387.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl-[2-[1-(dimethylamino)-2-oxo-3-phenylindol-3-yl]ethyl]azanium chloride
Also Known As: 3-(2-(tert-Butylamino)ethyl)-1-(dimethylamino)-3-phenyl-2-indolinone hydrochloride, 2-Indolinone, 3-(2-(tert-butylamino)ethyl)-1-(dimethylamino)-3-phenyl-, monohydrochloride, 2-INDOLINONE, 3-(2-(tert-BUTYLAMINO)ETHYL)-1-(DIMETHYLAMINO)-3-PHENYL-, MONOHYDR, tert-butyl-[2-[1-(dimethylamino)-2-oxo-3-phenylindol-3-yl]ethyl]azanium chloride, tert-butyl-[2-[1-(dimethylamino)-2-oxo-3-phenylindol-3-yl]ethyl]azanium;chloride
| Molecular Formula | C22H30ClN3O |
|---|---|
| Molecular Weight | 387.21 g/mol |
| LogP | -0.45 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.20773 |
| Heavy Atoms | 27 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 40713-82-4 |
|---|---|
| SMILES | CC(C)(C)[NH2+]CCC1(C2=CC=CC=C2N(C1=O)N(C)C)C3=CC=CC=C3.[Cl-] |
| InChIKey | YSIALANMECVQBG-UHFFFAOYSA-N |
Product Overview
RefChem:262101 (CAS 40713-82-4), with molecular formula C22H30ClN3O and molecular weight 387.21 g/mol. IUPAC: tert-butyl-[2-[1-(dimethylamino)-2-oxo-3-phenylindol-3-yl]ethyl]azanium chloride.
Chemical Property Profile of RefChem:262101
Property Insights of RefChem:262101
The XLogP value of -0.45 indicates that RefChem:262101 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.2 Ų, RefChem:262101 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:262101 has 1 hydrogen bond donor(s) and 3 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:262101?
The CAS number of RefChem:262101 is 40713-82-4.
What is the molecular formula of RefChem:262101?
The molecular formula of RefChem:262101 is C22H30ClN3O.
What is the molecular weight of RefChem:262101?
The molecular weight of RefChem:262101 is 387.21 g/mol.
Where can I buy RefChem:262101?
You can request a quote for RefChem:262101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:262101?
Yes, KEHONG BIO provides custom synthesis services for RefChem:262101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.