RefChem:1065048
TL;DR: RefChem:1065048 (CAS 40966-99-2) is a chemical compound with molecular formula C18H17ClN2O3 and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-(2-hydroxyethoxy)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Also Known As: 5-25-02-00243 (Beilstein Handbook Reference), 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(2-hydroxyethoxy)-1-methyl-5-phenyl-, 7-Chloro-1,3-dihydro-3-(2-hydroxyethoxy)-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, 1,3-Dihydro-7-chloro-3-(2-hydroxyethoxy)-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-(2-hydroxyethoxy)-1-methyl-5-phenyl-
| Molecular Formula | C18H17ClN2O3 |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.09277 |
| Heavy Atoms | 24 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 40966-99-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OCCO)C3=CC=CC=C3 |
| InChIKey | PYRIRQPKPPLVMI-UHFFFAOYSA-N |
Product Overview
RefChem:1065048 (CAS 40966-99-2), with molecular formula C18H17ClN2O3 and molecular weight 344.09 g/mol. IUPAC: 7-chloro-3-(2-hydroxyethoxy)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of RefChem:1065048
Property Insights of RefChem:1065048
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1065048. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065048. Following Lipinski's Rule of Five, RefChem:1065048 has 1 hydrogen bond donor(s) and 4 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:1065048?
The CAS number of RefChem:1065048 is 40966-99-2.
What is the molecular formula of RefChem:1065048?
The molecular formula of RefChem:1065048 is C18H17ClN2O3.
What is the molecular weight of RefChem:1065048?
The molecular weight of RefChem:1065048 is 344.09 g/mol.
Where can I buy RefChem:1065048?
You can request a quote for RefChem:1065048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065048?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.