RefChem:267879
TL;DR: RefChem:267879 (CAS 1100-25-0) 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.
7-chloro-1-[3-(dimethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
Also Known As: 5-24-04-00307 (Beilstein Handbook Reference), 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(dimethylamino)propyl)-5-phenyl-, 7-chloro-1-[3-(dimethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one, 1,3-Dihydro-7-chloro-1-[3-(dimethylamino)propyl]-5-phenyl-2H-1,4-benzodiazepin-2-one, 7-Chloro-1-(3-(dimethylamino)propyl)-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C20H22ClN3O |
|---|---|
| Molecular Weight | 355.15 g/mol |
| LogP | 3.2 |
| 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 | 1100-25-0 |
|---|---|
| SMILES | CN(C)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 |
| InChIKey | NUYBDBWVWLROHV-UHFFFAOYSA-N |
Product Overview
RefChem:267879 (CAS 1100-25-0), with molecular formula C20H22ClN3O and molecular weight 355.15 g/mol. IUPAC: 7-chloro-1-[3-(dimethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of RefChem:267879
Property Insights of RefChem:267879
The XLogP value of 3.2 indicates that RefChem:267879 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:267879 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267879 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:267879?
The CAS number of RefChem:267879 is 1100-25-0.
What is the molecular formula of RefChem:267879?
The molecular formula of RefChem:267879 is C20H22ClN3O.
What is the molecular weight of RefChem:267879?
The molecular weight of RefChem:267879 is 355.15 g/mol.
Where can I buy RefChem:267879?
You can request a quote for RefChem:267879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267879?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.