C076-0087
TL;DR: C076-0087 (CAS 533874-08-7) is a chemical compound with molecular formula C24H18F4N2O2 and molecular weight 442.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-7-methyl-4-[3-(trifluoromethyl)benzoyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: C076-0087, F0560-0179, 5-(4-fluorophenyl)-7-methyl-4-(3-(trifluoromethyl)benzoyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 5-(4-fluorophenyl)-7-methyl-4-[3-(trifluoromethyl)benzoyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 5-(4-FLUOROPHENYL)-7-METHYL-4-[3-(TRIFLUOROMETHYL)BENZOYL]-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-2-ONE
| Molecular Formula | C24H18F4N2O2 |
|---|---|
| Molecular Weight | 442.13 g/mol |
| LogP | 5.33682 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.13043 |
| Heavy Atoms | 32 |
| Complexity | 1189.3488 |
Chemical Identifiers
| CAS Number | 533874-08-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)C(F)(F)F |
Product Overview
C076-0087 (CAS 533874-08-7), with molecular formula C24H18F4N2O2 and molecular weight 442.13 g/mol. IUPAC: 5-(4-fluorophenyl)-7-methyl-4-[3-(trifluoromethyl)benzoyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of C076-0087
Property Insights of C076-0087
The XLogP value of 5.33682 indicates that C076-0087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, C076-0087 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C076-0087 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C076-0087?
The CAS number of C076-0087 is 533874-08-7.
What is the molecular formula of C076-0087?
The molecular formula of C076-0087 is C24H18F4N2O2.
What is the molecular weight of C076-0087?
The molecular weight of C076-0087 is 442.13 g/mol.
Where can I buy C076-0087?
You can request a quote for C076-0087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C076-0087?
Yes, KEHONG BIO provides custom synthesis services for C076-0087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.