奥昔布宁N-氧化物
TL;DR: 奥昔布宁N-氧化物 (CAS 80976-68-7) is a chemical compound with molecular formula C22H31NO4 and molecular weight 373.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥昔布宁N-氧化物
4-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy-N,N-diethylbut-2-yn-1-amine oxide
Also Known As: Oxybutynin N-oxide, Oxybutynin N oxide, oxybutyninN-oxide, Oxybutynin N-Oxide 90%, Oxybutynin N-Oxide 90per cent
| Molecular Formula | C22H31NO4 |
|---|---|
| Molecular Weight | 373.23 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.2253 |
| Heavy Atoms | 27 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 80976-68-7 |
|---|---|
| SMILES | CC[N+](CC)(CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O)[O-] |
| InChIKey | LBINNMJXZZEDOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥昔布宁N-氧化物 (CAS 80976-68-7), with molecular formula C22H31NO4 and molecular weight 373.23 g/mol. IUPAC: 4-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy-N,N-diethylbut-2-yn-1-amine oxide.
Chemical Property Profile of 奥昔布宁N-氧化物
Property Insights of 奥昔布宁N-氧化物
The XLogP value of 3.6 indicates that 奥昔布宁N-氧化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 奥昔布宁N-氧化物. Following Lipinski's Rule of Five, 奥昔布宁N-氧化物 has 1 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 奥昔布宁N-氧化物?
The CAS number of 奥昔布宁N-氧化物 is 80976-68-7.
What is the molecular formula of 奥昔布宁N-氧化物?
The molecular formula of 奥昔布宁N-氧化物 is C22H31NO4.
What is the molecular weight of 奥昔布宁N-氧化物?
The molecular weight of 奥昔布宁N-氧化物 is 373.23 g/mol.
Where can I buy 奥昔布宁N-氧化物?
You can request a quote for 奥昔布宁N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥昔布宁N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 奥昔布宁N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.