![(5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone structure](/static/products/5219/52196-70-0.webp)
(5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone
TL;DR: (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone (CAS 52196-70-0) is a chemical compound with molecular formula C31H26N2O4S and molecular weight 522.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone
Also Known As: (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone, 5,7-Dibenzoyl-1-benzyl-2-(propan-2-yl)-6lambda~6~-thiepino[4,5-d]imidazole-6,6(1H)-dione
| Molecular Formula | C31H26N2O4S |
|---|---|
| Molecular Weight | 522.16 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.1613 |
| Heavy Atoms | 38 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 52196-70-0 |
|---|---|
| SMILES | CC(C)C1=NC2=C(N1CC3=CC=CC=C3)C=C(S(=O)(=O)C(=C2)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5 |
| InChIKey | NRTIETLCUXXXTR-UHFFFAOYSA-N |
Product Overview
(5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone (CAS 52196-70-0), with molecular formula C31H26N2O4S and molecular weight 522.16 g/mol. IUPAC: (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone.
Chemical Property Profile of (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone
Property Insights of (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone
The XLogP value of 5.8 indicates that (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone. Following Lipinski's Rule of Five, (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone has 0 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 (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone?
The CAS number of (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone is 52196-70-0.
What is the molecular formula of (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone?
The molecular formula of (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone is C31H26N2O4S.
What is the molecular weight of (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone?
The molecular weight of (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone is 522.16 g/mol.
Where can I buy (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone?
You can request a quote for (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (5-benzoyl-3-benzyl-6,6-dioxo-2-propan-2-ylthiepino[4,5-d]imidazol-7-yl)-phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.