N-Desethyloxybutynin, (S)-
TL;DR: N-Desethyloxybutynin, (S)- (CAS 181646-98-0) is a chemical compound with molecular formula C20H27NO3 and molecular weight 329.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(ethylamino)but-2-ynyl (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate
Also Known As: (S)-N-Desethyloxybutynin, (S)-Desethyloxybutynin, Deethyloxybutynin, N-Desethyloxybutynin, (S)-, N-Desethyloxybutynin, (+)-
| Molecular Formula | C20H27NO3 |
|---|---|
| Molecular Weight | 329.20 g/mol |
| LogP | 2.6106 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.1991 |
| Heavy Atoms | 24 |
| Complexity | 569.54193 |
Chemical Identifiers
| CAS Number | 181646-98-0 |
|---|---|
| SMILES | CCNCC#CCOC(=O)[C@](C1CCCCC1)(C2=CC=CC=C2)O |
Product Overview
N-Desethyloxybutynin, (S)- (CAS 181646-98-0), with molecular formula C20H27NO3 and molecular weight 329.20 g/mol. IUPAC: 4-(ethylamino)but-2-ynyl (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of N-Desethyloxybutynin, (S)-
Property Insights of N-Desethyloxybutynin, (S)-
The XLogP value of 2.6106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desethyloxybutynin, (S)-. With a topological polar surface area (TPSA) of 58.56 Ų, N-Desethyloxybutynin, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desethyloxybutynin, (S)- has 2 hydrogen bond donor(s) and 4 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 N-Desethyloxybutynin, (S)-?
The CAS number of N-Desethyloxybutynin, (S)- is 181646-98-0.
What is the molecular formula of N-Desethyloxybutynin, (S)-?
The molecular formula of N-Desethyloxybutynin, (S)- is C20H27NO3.
What is the molecular weight of N-Desethyloxybutynin, (S)-?
The molecular weight of N-Desethyloxybutynin, (S)- is 329.20 g/mol.
Where can I buy N-Desethyloxybutynin, (S)-?
You can request a quote for N-Desethyloxybutynin, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desethyloxybutynin, (S)-?
Yes, KEHONG BIO provides custom synthesis services for N-Desethyloxybutynin, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.