RefChem:237222
TL;DR: RefChem:237222 (CAS 64058-64-6) is a chemical compound with molecular formula C25H33ClN2O and molecular weight 412.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-[3-[di(propan-2-yl)amino]propyl]-4,5-dihydro-3H-1-benzazepin-2-one
Also Known As: Benzenesulfonamide,4-mercapto, 3-(p-Chlorophenyl)-1-(3-(diisopropylamino)propyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one, 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-3-(p-chlorophenyl)-1-(3-(diisopropylamino)propyl)-, 2,3,4,5-Tetrahydro-3-(p-chlorophenyl)-1-[3-(diisopropylamino)propyl]-1H-1-benzazepin-2-one, 3-(4-chlorophenyl)-1-[3-[di(propan-2-yl)amino]propyl]-4,5-dihydro-3H-1-benzazepin-2-one
| Molecular Formula | C25H33ClN2O |
|---|---|
| Molecular Weight | 412.23 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.22815 |
| Heavy Atoms | 29 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 64058-64-6 |
|---|---|
| SMILES | CC(C)N(CCCN1C2=CC=CC=C2CCC(C1=O)C3=CC=C(C=C3)Cl)C(C)C |
| InChIKey | ICQVNPHZLORXIG-UHFFFAOYSA-N |
Product Overview
RefChem:237222 (CAS 64058-64-6), with molecular formula C25H33ClN2O and molecular weight 412.23 g/mol. IUPAC: 3-(4-chlorophenyl)-1-[3-[di(propan-2-yl)amino]propyl]-4,5-dihydro-3H-1-benzazepin-2-one.
Chemical Property Profile of RefChem:237222
Property Insights of RefChem:237222
The XLogP value of 5.9 indicates that RefChem:237222 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:237222 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237222 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:237222?
The CAS number of RefChem:237222 is 64058-64-6.
What is the molecular formula of RefChem:237222?
The molecular formula of RefChem:237222 is C25H33ClN2O.
What is the molecular weight of RefChem:237222?
The molecular weight of RefChem:237222 is 412.23 g/mol.
Where can I buy RefChem:237222?
You can request a quote for RefChem:237222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237222?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.