RefChem:267597
TL;DR: RefChem:267597 (CAS 36985-47-4) is a chemical compound with molecular formula C18H16F3N3O and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-1-phenyl-8-(trifluoromethyl)-3H-1,5-benzodiazepin-2-one
Also Known As: 5-25-15-00138 (Beilstein Handbook Reference), 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-(dimethylamino)-1-phenyl-8-(trifluoromethyl)-, 4-(Dimethylamino)-1-phenyl-8-(trifluoromethyl)-2H-1,3-dihydro-(1,5)-benzodiazepine-2-one, 4-1,3-dihydro-1-phenyl-8-2h-1,5-benzodiazepin-2-one, 4- -1,3-dihydro-1-phenyl-8- -2H-1,5-benzodiazepin-2-one
| Molecular Formula | C18H16F3N3O |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.12454 |
| Heavy Atoms | 25 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 36985-47-4 |
|---|---|
| SMILES | CN(C)C1=NC2=C(C=C(C=C2)C(F)(F)F)N(C(=O)C1)C3=CC=CC=C3 |
| InChIKey | JPKQTZQKHUBTAW-UHFFFAOYSA-N |
Product Overview
RefChem:267597 (CAS 36985-47-4), with molecular formula C18H16F3N3O and molecular weight 347.12 g/mol. IUPAC: 4-(dimethylamino)-1-phenyl-8-(trifluoromethyl)-3H-1,5-benzodiazepin-2-one.
Chemical Property Profile of RefChem:267597
Property Insights of RefChem:267597
The XLogP value of 3.1 indicates that RefChem:267597 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, RefChem:267597 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267597 has 0 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:267597?
The CAS number of RefChem:267597 is 36985-47-4.
What is the molecular formula of RefChem:267597?
The molecular formula of RefChem:267597 is C18H16F3N3O.
What is the molecular weight of RefChem:267597?
The molecular weight of RefChem:267597 is 347.12 g/mol.
Where can I buy RefChem:267597?
You can request a quote for RefChem:267597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267597?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.