RefChem:90085
TL;DR: RefChem:90085 (CAS 4196-18-3) is a chemical compound with molecular formula C19H21Cl3FN3O and molecular weight 431.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-(2-fluorophenyl)-1-[3-(methylamino)propyl]-3H-1,4-benzodiazepin-2-one;dihydrochloride
Also Known As: 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(3-(methylamino)propyl)-, dihydrochloride, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(3-(methylamino)propyl)-, dihydrochloride, 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(3-(methylamino)propyl)-, hydrochloride (1:2), 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-fluorophenyl)-1,3-dihydro-1-(3-(methylamino)propyl)-, dihydrochloride, 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, dihydrochloride
| Molecular Formula | C19H21Cl3FN3O |
|---|---|
| Molecular Weight | 431.07 g/mol |
| LogP | 4.12 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.07343 |
| Heavy Atoms | 27 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 4196-18-3 |
|---|---|
| SMILES | CNCCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.Cl.Cl |
| InChIKey | QCJXYVJHRXGBMA-UHFFFAOYSA-N |
Product Overview
RefChem:90085 (CAS 4196-18-3), with molecular formula C19H21Cl3FN3O and molecular weight 431.07 g/mol. IUPAC: 7-chloro-5-(2-fluorophenyl)-1-[3-(methylamino)propyl]-3H-1,4-benzodiazepin-2-one;dihydrochloride.
Chemical Property Profile of RefChem:90085
Property Insights of RefChem:90085
The XLogP value of 4.12 indicates that RefChem:90085 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, RefChem:90085 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:90085 has 3 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:90085?
The CAS number of RefChem:90085 is 4196-18-3.
What is the molecular formula of RefChem:90085?
The molecular formula of RefChem:90085 is C19H21Cl3FN3O.
What is the molecular weight of RefChem:90085?
The molecular weight of RefChem:90085 is 431.07 g/mol.
Where can I buy RefChem:90085?
You can request a quote for RefChem:90085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:90085?
Yes, KEHONG BIO provides custom synthesis services for RefChem:90085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.