RefChem:1072693
TL;DR: RefChem:1072693 (CAS 75472-67-2) is a chemical compound with molecular formula C27H29BrN2O and molecular weight 476.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-(diethylaminomethyl)-3,3-bis(4-methylphenyl)indol-2-one
Also Known As: NIOSH/NM2084150, 2-INDOLINONE, 5-BROMO-1-(DIETHYLAMINOMETHYL)-3,3-DI-p-TOLYL-, 5-Bromo-1-(diethylaminomethyl)-3,3-di-p-tolyl-2-indolinone, 3,3-Bis(p-tolyl)-5-bromo-1-((diethylamino)methyl)-2-indolinone, 2-Indolinone, 3,3-bis(p-tolyl)-5-bromo-1-((diethylamino)methyl)-
| Molecular Formula | C27H29BrN2O |
|---|---|
| Molecular Weight | 476.15 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.14633 |
| Heavy Atoms | 31 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 75472-67-2 |
|---|---|
| SMILES | CCN(CC)CN1C2=C(C=C(C=C2)Br)C(C1=O)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C |
| InChIKey | PIJVCBZIEVHVER-UHFFFAOYSA-N |
Product Overview
RefChem:1072693 (CAS 75472-67-2), with molecular formula C27H29BrN2O and molecular weight 476.15 g/mol. IUPAC: 5-bromo-1-(diethylaminomethyl)-3,3-bis(4-methylphenyl)indol-2-one.
Chemical Property Profile of RefChem:1072693
Property Insights of RefChem:1072693
The XLogP value of 6.4 indicates that RefChem:1072693 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, RefChem:1072693 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1072693 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1072693?
The CAS number of RefChem:1072693 is 75472-67-2.
What is the molecular formula of RefChem:1072693?
The molecular formula of RefChem:1072693 is C27H29BrN2O.
What is the molecular weight of RefChem:1072693?
The molecular weight of RefChem:1072693 is 476.15 g/mol.
Where can I buy RefChem:1072693?
You can request a quote for RefChem:1072693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072693?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.