ChemDiv1_008507
TL;DR: ChemDiv1_008507 (CAS 333758-19-3) is a chemical compound with molecular formula C26H21F3N2O3S and molecular weight 498.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methoxyphenyl)-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_008507, BAS 03058161, AJ-292/40706590, 3-(4-methoxyphenyl)-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(4-methoxyphenyl)-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C26H21F3N2O3S |
|---|---|
| Molecular Weight | 498.12 g/mol |
| LogP | 6.2196 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.1225 |
| Heavy Atoms | 35 |
| Complexity | 1300.1311 |
Chemical Identifiers
| CAS Number | 333758-19-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC=CS5)C(=O)C2 |
Product Overview
ChemDiv1_008507 (CAS 333758-19-3), with molecular formula C26H21F3N2O3S and molecular weight 498.12 g/mol. IUPAC: 9-(4-methoxyphenyl)-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_008507
Property Insights of ChemDiv1_008507
The XLogP value of 6.2196 indicates that ChemDiv1_008507 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ChemDiv1_008507 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008507 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008507?
The CAS number of ChemDiv1_008507 is 333758-19-3.
What is the molecular formula of ChemDiv1_008507?
The molecular formula of ChemDiv1_008507 is C26H21F3N2O3S.
What is the molecular weight of ChemDiv1_008507?
The molecular weight of ChemDiv1_008507 is 498.12 g/mol.
Where can I buy ChemDiv1_008507?
You can request a quote for ChemDiv1_008507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008507?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.