RefChem:236873
TL;DR: RefChem:236873 (CAS 112634-57-8) is a chemical compound with molecular formula C18H16ClFN2O and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-7-(2-fluorophenyl)-3,4,4a,5-tetrahydro-1H-[1,3]oxazino[3,4-a][1,4]benzodiazepine
Also Known As: 9-Chloro-7-(2-fluorophenyl)-3,4,4a,5-tetrahydro-1H-(1,3)oxazino(3,4-a)(1,4)benzodiazepine, 1H-(1,3)Oxazino(3,4-a)(1,4)benzodiazepine, 3,4,4a,5-tetrahydro-9-chloro-7-(2-fluorophenyl)-, 9-chloro-7-(2-fluorophenyl)-3,4,4a,5-tetrahydro-1H-[1,3]oxazino[3,4-a][1,4]benzodiazepine, BRN 5119904, RefChem:236873
| Molecular Formula | C18H16ClFN2O |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 3.8829 |
| Topological Polar Surface Area | 24.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.0935 |
| Heavy Atoms | 23 |
| Complexity | 777.36694 |
Chemical Identifiers
| CAS Number | 112634-57-8 |
|---|---|
| SMILES | C1COCN2C1CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F |
Product Overview
RefChem:236873 (CAS 112634-57-8), with molecular formula C18H16ClFN2O and molecular weight 330.09 g/mol. IUPAC: 9-chloro-7-(2-fluorophenyl)-3,4,4a,5-tetrahydro-1H-[1,3]oxazino[3,4-a][1,4]benzodiazepine.
Chemical Property Profile of RefChem:236873
Property Insights of RefChem:236873
The XLogP value of 3.8829 indicates that RefChem:236873 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.83 Ų, RefChem:236873 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:236873 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:236873?
The CAS number of RefChem:236873 is 112634-57-8.
What is the molecular formula of RefChem:236873?
The molecular formula of RefChem:236873 is C18H16ClFN2O.
What is the molecular weight of RefChem:236873?
The molecular weight of RefChem:236873 is 330.09 g/mol.
Where can I buy RefChem:236873?
You can request a quote for RefChem:236873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236873?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.