ChemDiv3_003723
TL;DR: ChemDiv3_003723 (CAS 654636-06-3) is a chemical compound with molecular formula C22H24N2OS and molecular weight 364.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethylpyrrol-1-yl)-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: ChemDiv3_003723, IDI1_021633, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, BRD-K02155410-001-01-7, [2-(2,5-dimethylpyrrolyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)]-N-(4-methy lphenyl)carboxamide
| Molecular Formula | C22H24N2OS |
|---|---|
| Molecular Weight | 364.16 g/mol |
| LogP | 5.59516 |
| Topological Polar Surface Area | 34.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.16095 |
| Heavy Atoms | 26 |
| Complexity | 943.44135 |
Chemical Identifiers
| CAS Number | 654636-06-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)N4C(=CC=C4C)C |
Product Overview
ChemDiv3_003723 (CAS 654636-06-3), with molecular formula C22H24N2OS and molecular weight 364.16 g/mol. IUPAC: 2-(2,5-dimethylpyrrol-1-yl)-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of ChemDiv3_003723
Property Insights of ChemDiv3_003723
The XLogP value of 5.59516 indicates that ChemDiv3_003723 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.03 Ų, ChemDiv3_003723 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_003723 has 1 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 ChemDiv3_003723?
The CAS number of ChemDiv3_003723 is 654636-06-3.
What is the molecular formula of ChemDiv3_003723?
The molecular formula of ChemDiv3_003723 is C22H24N2OS.
What is the molecular weight of ChemDiv3_003723?
The molecular weight of ChemDiv3_003723 is 364.16 g/mol.
Where can I buy ChemDiv3_003723?
You can request a quote for ChemDiv3_003723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003723?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.