3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one
TL;DR: 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one (CAS 1108-42-5) is a chemical compound with molecular formula C24H17N3O7S and molecular weight 491.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,7-trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one
Also Known As: 2,4,7-Trinitrofluoren-9-one compd. with 3,4,7-trimethylbenzo(b)thiophene (1:1), Fluoren-9-one, 2,4,7-trinitro-, compd. with 3,4,7-trimethylbenzo(b)thiophene (1:1), 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one, 3,4,7-trimethyl-1-benzothiophene; 2,4,7-trinitrofluoren-9-one, 2,4,7-Trinitro-9H-fluoren-9-one--3,4,7-trimethyl-1-benzothiophene (1/1)
| Molecular Formula | C24H17N3O7S |
|---|---|
| Molecular Weight | 491.08 g/mol |
| LogP | 6.44916 |
| Topological Polar Surface Area | 146.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 491.07874 |
| Heavy Atoms | 35 |
| Complexity | 1590.0284 |
Chemical Identifiers
| CAS Number | 1108-42-5 |
|---|---|
| SMILES | CC1=C2C(=CSC2=C(C=C1)C)C.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one (CAS 1108-42-5), with molecular formula C24H17N3O7S and molecular weight 491.08 g/mol. IUPAC: 3,4,7-trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one.
Chemical Property Profile of 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one
Property Insights of 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one
The XLogP value of 6.44916 indicates that 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.49 Ų indicates high polarity, suggesting 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one?
The CAS number of 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one is 1108-42-5.
What is the molecular formula of 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one?
The molecular formula of 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one is C24H17N3O7S.
What is the molecular weight of 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one?
The molecular weight of 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one is 491.08 g/mol.
Where can I buy 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one?
You can request a quote for 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4,7-Trimethyl-1-benzothiophene;2,4,7-trinitrofluoren-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.