2-(Pentamethylbenzoyl)thiophene
TL;DR: 2-(Pentamethylbenzoyl)thiophene (CAS 175136-70-6) is a chemical compound with molecular formula C16H18OS and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone
Also Known As: 2-(Pentamethylbenzoyl)thiophene, Maybridge1_002886, DivK1c_001638, (2,3,4,5,6-Pentamethylphenyl)(2-thienyl)methanone, CDS1_000598
| Molecular Formula | C16H18OS |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.10785 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 175136-70-6 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)C(=O)C2=CC=CS2)C)C |
| InChIKey | ZGEZTRBQIJWTJL-UHFFFAOYSA-N |
Product Overview
2-(Pentamethylbenzoyl)thiophene (CAS 175136-70-6), with molecular formula C16H18OS and molecular weight 258.11 g/mol. IUPAC: (2,3,4,5,6-pentamethylphenyl)-thiophen-2-ylmethanone.
Chemical Property Profile of 2-(Pentamethylbenzoyl)thiophene
Property Insights of 2-(Pentamethylbenzoyl)thiophene
The XLogP value of 5.1 indicates that 2-(Pentamethylbenzoyl)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 2-(Pentamethylbenzoyl)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pentamethylbenzoyl)thiophene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Pentamethylbenzoyl)thiophene?
The CAS number of 2-(Pentamethylbenzoyl)thiophene is 175136-70-6.
What is the molecular formula of 2-(Pentamethylbenzoyl)thiophene?
The molecular formula of 2-(Pentamethylbenzoyl)thiophene is C16H18OS.
What is the molecular weight of 2-(Pentamethylbenzoyl)thiophene?
The molecular weight of 2-(Pentamethylbenzoyl)thiophene is 258.11 g/mol.
Where can I buy 2-(Pentamethylbenzoyl)thiophene?
You can request a quote for 2-(Pentamethylbenzoyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pentamethylbenzoyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pentamethylbenzoyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.