RefChem:267891
TL;DR: RefChem:267891 (CAS 56057-75-1) is a chemical compound with molecular formula C18H16Cl2N2O4 and molecular weight 394.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-(2-chlorophenyl)-3-(2,3-dihydroxypropoxy)-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: 5-25-02-00249 (Beilstein Handbook Reference), 7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-(2,3-dihydroxypropoxy)-2H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-chlorophenyl)-3-(2,3-dihydroxypropoxy)-, 3-{[7-Chloro-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl]oxy}propane-1,2-diol, 7-chloro-5-(2-chlorophenyl)-3-(2,3-dihydroxypropoxy)-1,3-dihydro-1,4-benzodiazepin-2-one
| Molecular Formula | C18H16Cl2N2O4 |
|---|---|
| Molecular Weight | 394.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.0487 |
| Heavy Atoms | 26 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 56057-75-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OCC(CO)O)Cl |
| InChIKey | RUZTZHORWNXEDM-UHFFFAOYSA-N |
Product Overview
RefChem:267891 (CAS 56057-75-1), with molecular formula C18H16Cl2N2O4 and molecular weight 394.05 g/mol. IUPAC: 7-chloro-5-(2-chlorophenyl)-3-(2,3-dihydroxypropoxy)-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of RefChem:267891
Property Insights of RefChem:267891
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:267891. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:267891. Following Lipinski's Rule of Five, RefChem:267891 has 3 hydrogen bond donor(s) and 5 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:267891?
The CAS number of RefChem:267891 is 56057-75-1.
What is the molecular formula of RefChem:267891?
The molecular formula of RefChem:267891 is C18H16Cl2N2O4.
What is the molecular weight of RefChem:267891?
The molecular weight of RefChem:267891 is 394.05 g/mol.
Where can I buy RefChem:267891?
You can request a quote for RefChem:267891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.