ChemDiv2_003552
TL;DR: ChemDiv2_003552 (CAS 397854-89-6) is a chemical compound with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[3-(pyrrolidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
Also Known As: ChemDiv2_003552, IDI1_002267, 3-methyl-N-[3-(pyrrolidin-1-ylcarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide, 3-methyl-N-[3-(pyrrolidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide, 3-METHYL-N-[3-(PYRROLIDINE-1-CARBONYL)-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL]BENZAMIDE
| Molecular Formula | C20H22N2O2S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 4.03352 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.1402 |
| Heavy Atoms | 25 |
| Complexity | 834.21686 |
Chemical Identifiers
| CAS Number | 397854-89-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N4CCCC4 |
Product Overview
ChemDiv2_003552 (CAS 397854-89-6), with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol. IUPAC: 3-methyl-N-[3-(pyrrolidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide.
Chemical Property Profile of ChemDiv2_003552
Property Insights of ChemDiv2_003552
The XLogP value of 4.03352 indicates that ChemDiv2_003552 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, ChemDiv2_003552 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_003552 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_003552?
The CAS number of ChemDiv2_003552 is 397854-89-6.
What is the molecular formula of ChemDiv2_003552?
The molecular formula of ChemDiv2_003552 is C20H22N2O2S.
What is the molecular weight of ChemDiv2_003552?
The molecular weight of ChemDiv2_003552 is 354.14 g/mol.
Where can I buy ChemDiv2_003552?
You can request a quote for ChemDiv2_003552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003552?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.