BAS 01257254
TL;DR: BAS 01257254 (CAS 337340-44-0) is a chemical compound with molecular formula C25H22BrF3N2O2 and molecular weight 518.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(Z)-1-bromo-2-phenylethenyl]-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 01257254, (Z)-11-(1-bromo-2-phenylvinyl)-3,3-dimethyl-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-((1Z)-1-bromo-2-phenylvinyl)-3,3-dimethyl-10-(2,2,2-trifluoroacetyl)-2,3,4- trihydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one, 11-[(Z)-1-BROMO-2-PHENYL-1-ETHENYL]-3,3-DIMETHYL-10-(2,2,2-TRIFLUOROACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 11-[(Z)-1-bromo-2-phenylethenyl]-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C25H22BrF3N2O2 |
|---|---|
| Molecular Weight | 518.08 g/mol |
| LogP | 6.4552 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 518.08167 |
| Heavy Atoms | 33 |
| Complexity | 1169.6746 |
Chemical Identifiers
| CAS Number | 337340-44-0 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)/C(=C/C4=CC=CC=C4)/Br)C(=O)C1)C |
Product Overview
BAS 01257254 (CAS 337340-44-0), with molecular formula C25H22BrF3N2O2 and molecular weight 518.08 g/mol. IUPAC: 6-[(Z)-1-bromo-2-phenylethenyl]-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 01257254
Property Insights of BAS 01257254
The XLogP value of 6.4552 indicates that BAS 01257254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, BAS 01257254 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01257254 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 BAS 01257254?
The CAS number of BAS 01257254 is 337340-44-0.
What is the molecular formula of BAS 01257254?
The molecular formula of BAS 01257254 is C25H22BrF3N2O2.
What is the molecular weight of BAS 01257254?
The molecular weight of BAS 01257254 is 518.08 g/mol.
Where can I buy BAS 01257254?
You can request a quote for BAS 01257254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01257254?
Yes, KEHONG BIO provides custom synthesis services for BAS 01257254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.