(-)-PD-123475
TL;DR: (-)-PD-123475 (CAS 114419-76-0) is a chemical compound with molecular formula C21H28N2OS and molecular weight 356.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzothiophen-4-yl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Also Known As: (-)-PD-123475, Benzo(b)thiophene-4-acetamide, N-methyl-N-((1S,2S)-2-(1-pyrrolidinyl)cyclohexyl)-, (-)-Benzo(b)thiophene-4-acetamide, N-methyl-N-((1S,2S)-2-(1-pyrrolidinyl)cyclohexyl)-, (-)-N-Methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]benzo[b]thiophene-4-acetamide, 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1S,2S)-2-(pyrrolidin-1-yl)cyclohexyl]acetamide
| Molecular Formula | C21H28N2OS |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | 4.3092 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.19223 |
| Heavy Atoms | 25 |
| Complexity | 734.32623 |
Chemical Identifiers
| CAS Number | 114419-76-0 |
|---|---|
| SMILES | CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=C4C=CSC4=CC=C3 |
Product Overview
(-)-PD-123475 (CAS 114419-76-0), with molecular formula C21H28N2OS and molecular weight 356.19 g/mol. IUPAC: 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.
Chemical Property Profile of (-)-PD-123475
Property Insights of (-)-PD-123475
The XLogP value of 4.3092 indicates that (-)-PD-123475 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, (-)-PD-123475 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-PD-123475 has 0 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 (-)-PD-123475?
The CAS number of (-)-PD-123475 is 114419-76-0.
What is the molecular formula of (-)-PD-123475?
The molecular formula of (-)-PD-123475 is C21H28N2OS.
What is the molecular weight of (-)-PD-123475?
The molecular weight of (-)-PD-123475 is 356.19 g/mol.
Where can I buy (-)-PD-123475?
You can request a quote for (-)-PD-123475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-PD-123475?
Yes, KEHONG BIO provides custom synthesis services for (-)-PD-123475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.