C27H22ClFN2O2
TL;DR: C27H22ClFN2O2 (CAS 442570-44-7) is a chemical compound with molecular formula C27H22ClFN2O2 and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-9-(4-chlorophenyl)-6-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-[3-(4-chlorophenyl)-11-(4-fluorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone, 10-acetyl-3-(4-chlorophenyl)-11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-acetyl-9-(4-chlorophenyl)-6-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C27H22ClFN2O2 |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | 6.3996 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.13538 |
| Heavy Atoms | 33 |
| Complexity | 1268.0387 |
Chemical Identifiers
| CAS Number | 442570-44-7 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)Cl)NC4=CC=CC=C41)C5=CC=C(C=C5)F |
Product Overview
C27H22ClFN2O2 (CAS 442570-44-7), with molecular formula C27H22ClFN2O2 and molecular weight 460.14 g/mol. IUPAC: 5-acetyl-9-(4-chlorophenyl)-6-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of C27H22ClFN2O2
Property Insights of C27H22ClFN2O2
The XLogP value of 6.3996 indicates that C27H22ClFN2O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, C27H22ClFN2O2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C27H22ClFN2O2 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H22ClFN2O2?
The CAS number of C27H22ClFN2O2 is 442570-44-7.
What is the molecular formula of C27H22ClFN2O2?
The molecular formula of C27H22ClFN2O2 is C27H22ClFN2O2.
What is the molecular weight of C27H22ClFN2O2?
The molecular weight of C27H22ClFN2O2 is 460.14 g/mol.
Where can I buy C27H22ClFN2O2?
You can request a quote for C27H22ClFN2O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H22ClFN2O2?
Yes, KEHONG BIO provides custom synthesis services for C27H22ClFN2O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.