1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione
TL;DR: 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione (CAS 76115-66-7) is a chemical compound with molecular formula C24H19NO2S and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione
Also Known As: 1-(1,3-benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione, 1-benzothiazol-2-yl-3,5-diphenyl-pentane-1,5-dione, 1-(1,3-benzothiazol-2-yl)-3,5-diphenyl-pentane-1,5-dione
| Molecular Formula | C24H19NO2S |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 5.9259 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.11365 |
| Heavy Atoms | 28 |
| Complexity | 1070.14 |
Chemical Identifiers
| CAS Number | 76115-66-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=NC4=CC=CC=C4S3 |
Product Overview
1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione (CAS 76115-66-7), with molecular formula C24H19NO2S and molecular weight 385.11 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione.
Chemical Property Profile of 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione
Property Insights of 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione
The XLogP value of 5.9259 indicates that 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.03 Ų, 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione?
The CAS number of 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione is 76115-66-7.
What is the molecular formula of 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione?
The molecular formula of 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione is C24H19NO2S.
What is the molecular weight of 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione?
The molecular weight of 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione is 385.11 g/mol.
Where can I buy 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione?
You can request a quote for 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzothiazol-2-yl)-3,5-diphenylpentane-1,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.