奥昔布宁
TL;DR: 奥昔布宁 (CAS 5633-20-5) is a chemical compound with molecular formula C22H31NO3 and molecular weight 357.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥昔布宁
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Also Known As: oxybutynin, Ditropan, Oxytrol, Oxybutynine, Oxybutynin chloride
| Molecular Formula | C22H31NO3 |
|---|---|
| Molecular Weight | 357.23 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 357.2304 |
| Heavy Atoms | 26 |
| Complexity | 490.0 |
| Melting Point | 122-124 |
| Solubility | 50 |
Chemical Identifiers
| CAS Number | 5633-20-5 |
|---|---|
| SMILES | CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O |
| InChIKey | XIQVNETUBQGFHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥昔布宁 (CAS 5633-20-5), with molecular formula C22H31NO3 and molecular weight 357.23 g/mol. IUPAC: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of 奥昔布宁
Property Insights of 奥昔布宁
The XLogP value of 4.2 indicates that 奧昔布寧 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 奥昔布宁 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奧昔布寧 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 奧昔布寧?
The CAS number of 奧昔布寧 is 5633-20-5.
What is the molecular formula of 奧昔布寧?
The molecular formula of 奧昔布寧 is C22H31NO3.
What is the molecular weight of 奧昔布寧?
The molecular weight of 奧昔布寧 is 357.23 g/mol.
Where can I buy 奧昔布寧?
You can request a quote for 奧昔布寧 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奧昔布寧?
Yes, KEHONG BIO provides custom synthesis services for 奧昔布寧 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.