RefChem:297445
TL;DR: RefChem:297445 (CAS 55479-20-4) is a chemical compound with molecular formula C20H22ClN3O and molecular weight 355.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-3-[3-(dimethylamino)propyl]-1-phenyl-5H-2,3-benzodiazepin-4-one
Also Known As: 5-24-04-00360 (Beilstein Handbook Reference), 4H-2,3-Benzodiazepin-4-one, 3,5-dihydro-8-chloro-3-(3-(dimethylamino)propyl)-1-phenyl-, 1-Phenyl-3-(gamma-dimethylaminopropyl)-3,5-dihydro-8-chloro-4H-benzo(2,3)diazepin-4-one, 3,5-Dihydro-8-chloro-3-(3-(dimethylamino)propyl)-1-phenyl-4H-2,3-benzodiazepin-4-one, 8-chloro-3-[3-(dimethylamino)propyl]-1-phenyl-3,5-dihydro-4h-2,3-benzodiazepin-4-one
| Molecular Formula | C20H22ClN3O |
|---|---|
| Molecular Weight | 355.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.14514 |
| Heavy Atoms | 25 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 55479-20-4 |
|---|---|
| SMILES | CN(C)CCCN1C(=O)CC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 |
| InChIKey | ODAMNLUZXDIIRL-UHFFFAOYSA-N |
Product Overview
RefChem:297445 (CAS 55479-20-4), with molecular formula C20H22ClN3O and molecular weight 355.15 g/mol. IUPAC: 8-chloro-3-[3-(dimethylamino)propyl]-1-phenyl-5H-2,3-benzodiazepin-4-one.
Chemical Property Profile of RefChem:297445
Property Insights of RefChem:297445
The XLogP value of 3.8 indicates that RefChem:297445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, RefChem:297445 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:297445 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:297445?
The CAS number of RefChem:297445 is 55479-20-4.
What is the molecular formula of RefChem:297445?
The molecular formula of RefChem:297445 is C20H22ClN3O.
What is the molecular weight of RefChem:297445?
The molecular weight of RefChem:297445 is 355.15 g/mol.
Where can I buy RefChem:297445?
You can request a quote for RefChem:297445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297445?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.