RefChem:237216
TL;DR: RefChem:237216 (CAS 54951-30-3) is a chemical compound with molecular formula C19H30N2O2 and molecular weight 318.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[di(propan-2-yl)amino]ethyl]-7-methoxy-4,5-dihydro-3H-1-benzazepin-2-one
Also Known As: 5-21-12-00240 (Beilstein Handbook Reference), 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(diisopropylamino)ethyl)-7-methoxy-, 1H-1-Benzazepin-2-one, 1-(2-(diisopropylamino)ethyl)-7-methoxy-2,3,4,5-tetrahydro-, 1-[2-[di(propan-2-yl)amino]ethyl]-7-methoxy-4,5-dihydro-3H-1-benzazepin-2-one, 1-(3-diisopropylamino-propyl)-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
| Molecular Formula | C19H30N2O2 |
|---|---|
| Molecular Weight | 318.23 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.23074 |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 54951-30-3 |
|---|---|
| SMILES | CC(C)N(CCN1C(=O)CCCC2=C1C=CC(=C2)OC)C(C)C |
| InChIKey | KXWARPSMGAVRQE-UHFFFAOYSA-N |
Product Overview
RefChem:237216 (CAS 54951-30-3), with molecular formula C19H30N2O2 and molecular weight 318.23 g/mol. IUPAC: 1-[2-[di(propan-2-yl)amino]ethyl]-7-methoxy-4,5-dihydro-3H-1-benzazepin-2-one.
Chemical Property Profile of RefChem:237216
Property Insights of RefChem:237216
The XLogP value of 3.2 indicates that RefChem:237216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, RefChem:237216 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237216 has 0 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:237216?
The CAS number of RefChem:237216 is 54951-30-3.
What is the molecular formula of RefChem:237216?
The molecular formula of RefChem:237216 is C19H30N2O2.
What is the molecular weight of RefChem:237216?
The molecular weight of RefChem:237216 is 318.23 g/mol.
Where can I buy RefChem:237216?
You can request a quote for RefChem:237216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237216?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.