RefChem:221020
TL;DR: RefChem:221020 (CAS 52468-28-7) is a chemical compound with molecular formula C20H31BrN2O3 and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[bis(2-methylpropyl)amino]methyl]-4-phenyl-1,4-oxazepane-5,7-dione;hydrobromide
Also Known As: 1,4-Oxazepine-5,7(2H,6H)-dione, dihydro-2-((bis(2-methylpropyl)amino)methyl)-4-phenyl-, monohydrobromide, 2-[(bis(2-methylpropyl)amino)methyl]-4-phenyl-1,4-oxazepane-5,7-dione Hydrobromide, 2-[[bis(2-methylpropyl)amino]methyl]-4-phenyl-1,4-oxazepane-5,7-dione hydrobromide, 2-{[Bis(2-methylpropyl)amino]methyl}-4-phenyl-1,4-oxazepane-5,7-dione--hydrogen bromide (1/1), RefChem:221020
| Molecular Formula | C20H31BrN2O3 |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 3.527 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.15182 |
| Heavy Atoms | 26 |
| Complexity | 567.67883 |
Chemical Identifiers
| CAS Number | 52468-28-7 |
|---|---|
| SMILES | CC(C)CN(CC1CN(C(=O)CC(=O)O1)C2=CC=CC=C2)CC(C)C.Br |
Product Overview
RefChem:221020 (CAS 52468-28-7), with molecular formula C20H31BrN2O3 and molecular weight 426.15 g/mol. IUPAC: 2-[[bis(2-methylpropyl)amino]methyl]-4-phenyl-1,4-oxazepane-5,7-dione;hydrobromide.
Chemical Property Profile of RefChem:221020
Property Insights of RefChem:221020
The XLogP value of 3.527 indicates that RefChem:221020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, RefChem:221020 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:221020 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 RefChem:221020?
The CAS number of RefChem:221020 is 52468-28-7.
What is the molecular formula of RefChem:221020?
The molecular formula of RefChem:221020 is C20H31BrN2O3.
What is the molecular weight of RefChem:221020?
The molecular weight of RefChem:221020 is 426.15 g/mol.
Where can I buy RefChem:221020?
You can request a quote for RefChem:221020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:221020?
Yes, KEHONG BIO provides custom synthesis services for RefChem:221020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.