RefChem:377732
TL;DR: RefChem:377732 (CAS 112634-56-7) is a chemical compound with molecular formula C19H17ClFN3O and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-7-(2-fluorophenyl)-2-methyl-1,4,4a,5-tetrahydropyrimido[1,6-a][1,4]benzodiazepin-3-one
Also Known As: Pyrimido(1,6-a)(1,4)benzodiazepin-3(4H)-one, 1,2,4a,5-tetrahydro-9-chloro-7-(2-fluorophenyl)-2-methyl-, 9-Chloro-7-(2-fluorophenyl)-2-methyl-1,2,4a,5-tetrahydropyrimido[1,6-a][1,4]benzodiazepin-3(4H)-one, 9-chloro-7-(2-fluorophenyl)-2-methyl-1,4,4a,5-tetrahydropyrimido[1,6-a][1,4]benzodiazepin-3-one, BRN 5137447, RefChem:377732
| Molecular Formula | C19H17ClFN3O |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 3.3247 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.10443 |
| Heavy Atoms | 25 |
| Complexity | 882.72296 |
Chemical Identifiers
| CAS Number | 112634-56-7 |
|---|---|
| SMILES | CN1CN2C(CC1=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F |
Product Overview
RefChem:377732 (CAS 112634-56-7), with molecular formula C19H17ClFN3O and molecular weight 357.10 g/mol. IUPAC: 9-chloro-7-(2-fluorophenyl)-2-methyl-1,4,4a,5-tetrahydropyrimido[1,6-a][1,4]benzodiazepin-3-one.
Chemical Property Profile of RefChem:377732
Property Insights of RefChem:377732
The XLogP value of 3.3247 indicates that RefChem:377732 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.91 Ų, RefChem:377732 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:377732 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:377732?
The CAS number of RefChem:377732 is 112634-56-7.
What is the molecular formula of RefChem:377732?
The molecular formula of RefChem:377732 is C19H17ClFN3O.
What is the molecular weight of RefChem:377732?
The molecular weight of RefChem:377732 is 357.10 g/mol.
Where can I buy RefChem:377732?
You can request a quote for RefChem:377732 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377732?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377732 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.