RefChem:267877
TL;DR: RefChem:267877 (CAS 1248-22-2) is a chemical compound with molecular formula C22H28Cl3N3O and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one;dihydrochloride
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(diethylamino)propyl)-5-phenyl-, dihydrochloride, 7-Chloro-1-(3-(diethylamino)propyl)-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 2HCl, 7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-1-(3-(DIETHYLAMINO)PROPYL)-5-PH, 7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride
| Molecular Formula | C22H28Cl3N3O |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.1298 |
| Heavy Atoms | 29 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 1248-22-2 |
|---|---|
| SMILES | CCN(CC)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl.Cl |
| InChIKey | ACRXWCHOYGQNEI-UHFFFAOYSA-N |
Product Overview
RefChem:267877 (CAS 1248-22-2), with molecular formula C22H28Cl3N3O and molecular weight 455.13 g/mol. IUPAC: 7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one;dihydrochloride.
Chemical Property Profile of RefChem:267877
Property Insights of RefChem:267877
The XLogP value of 5.1 indicates that RefChem:267877 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:267877 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267877 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:267877?
The CAS number of RefChem:267877 is 1248-22-2.
What is the molecular formula of RefChem:267877?
The molecular formula of RefChem:267877 is C22H28Cl3N3O.
What is the molecular weight of RefChem:267877?
The molecular weight of RefChem:267877 is 455.13 g/mol.
Where can I buy RefChem:267877?
You can request a quote for RefChem:267877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267877?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.