RefChem:267886
TL;DR: RefChem:267886 (CAS 40967-05-3) is a chemical compound with molecular formula C18H17ClN2O4 and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-(2,3-dihydroxypropoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: 5-25-02-00237 (Beilstein Handbook Reference), 1,3-Dihydro-7-chloro-3-(2,3-dihydroxypropoxy)-5-phenyl-2H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(2,3-dihydroxypropoxy)-5-phenyl-, 7-Chloro-1,3-dihydro-3-(2,3-dihydroxypropoxy)-5-phenyl-2H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 7-chloro-3-(2,3-dihydroxypropoxy)-1,3-dihydro-5-phenyl-
| Molecular Formula | C18H17ClN2O4 |
|---|---|
| Molecular Weight | 360.09 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 | 360.08768 |
| Heavy Atoms | 25 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 40967-05-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OCC(CO)O |
| InChIKey | PZDVAPOFNSWRFD-UHFFFAOYSA-N |
Product Overview
RefChem:267886 (CAS 40967-05-3), with molecular formula C18H17ClN2O4 and molecular weight 360.09 g/mol. IUPAC: 7-chloro-3-(2,3-dihydroxypropoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of RefChem:267886
Property Insights of RefChem:267886
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:267886. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:267886. Following Lipinski's Rule of Five, RefChem:267886 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:267886?
The CAS number of RefChem:267886 is 40967-05-3.
What is the molecular formula of RefChem:267886?
The molecular formula of RefChem:267886 is C18H17ClN2O4.
What is the molecular weight of RefChem:267886?
The molecular weight of RefChem:267886 is 360.09 g/mol.
Where can I buy RefChem:267886?
You can request a quote for RefChem:267886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267886?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.