2M-728
TL;DR: 2M-728 (CAS 338400-91-2) is a chemical compound with molecular formula C25H19Cl2FN2O and molecular weight 452.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-chloro-6-fluorophenyl)-6-(4-chlorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 2M-728, 3-(2-Chloro-6-fluorophenyl)-11-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo(b,e)[1,4]diazepin-1-one, 14-(2-chloro-6-fluorophenyl)-10-(4-chlorophenyl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one, 9-(2-chloro-6-fluorophenyl)-6-(4-chlorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 3-(2-chloro-6-fluorophenyl)-11-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C25H19Cl2FN2O |
|---|---|
| Molecular Weight | 452.09 g/mol |
| LogP | 7.112 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.08585 |
| Heavy Atoms | 31 |
| Complexity | 1186.1488 |
Chemical Identifiers
| CAS Number | 338400-91-2 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=C(C=C4)Cl)C5=C(C=CC=C5Cl)F |
Product Overview
2M-728 (CAS 338400-91-2), with molecular formula C25H19Cl2FN2O and molecular weight 452.09 g/mol. IUPAC: 9-(2-chloro-6-fluorophenyl)-6-(4-chlorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 2M-728
Property Insights of 2M-728
The XLogP value of 7.112 indicates that 2M-728 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 2M-728 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2M-728 has 2 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 2M-728?
The CAS number of 2M-728 is 338400-91-2.
What is the molecular formula of 2M-728?
The molecular formula of 2M-728 is C25H19Cl2FN2O.
What is the molecular weight of 2M-728?
The molecular weight of 2M-728 is 452.09 g/mol.
Where can I buy 2M-728?
You can request a quote for 2M-728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2M-728?
Yes, KEHONG BIO provides custom synthesis services for 2M-728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.