rac Desethyl Oxybutynin Hydrochloride
TL;DR: rac Desethyl Oxybutynin Hydrochloride (CAS 1173018-49-9) is a chemical compound with molecular formula C20H28ClNO3 and molecular weight 365.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(ethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride
Also Known As: NT0502 hudrochloride, NRX-101 hydrochloride, NT-0502 hydrochloride, N-Desethyloxybutynin hydrochloride, rac Desethyl Oxybutynin-d5 Hydrochloride
| Molecular Formula | C20H28ClNO3 |
|---|---|
| Molecular Weight | 365.18 g/mol |
| LogP | 3.0324 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.17578 |
| Heavy Atoms | 25 |
| Complexity | 575.59924 |
Chemical Identifiers
| CAS Number | 1173018-49-9 |
|---|---|
| SMILES | CCNCC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl |
Product Overview
rac Desethyl Oxybutynin Hydrochloride (CAS 1173018-49-9), with molecular formula C20H28ClNO3 and molecular weight 365.18 g/mol. IUPAC: 4-(ethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride.
Chemical Property Profile of rac Desethyl Oxybutynin Hydrochloride
Property Insights of rac Desethyl Oxybutynin Hydrochloride
The XLogP value of 3.0324 indicates that rac Desethyl Oxybutynin Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, rac Desethyl Oxybutynin Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rac Desethyl Oxybutynin Hydrochloride 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 rac Desethyl Oxybutynin Hydrochloride?
The CAS number of rac Desethyl Oxybutynin Hydrochloride is 1173018-49-9.
What is the molecular formula of rac Desethyl Oxybutynin Hydrochloride?
The molecular formula of rac Desethyl Oxybutynin Hydrochloride is C20H28ClNO3.
What is the molecular weight of rac Desethyl Oxybutynin Hydrochloride?
The molecular weight of rac Desethyl Oxybutynin Hydrochloride is 365.18 g/mol.
Where can I buy rac Desethyl Oxybutynin Hydrochloride?
You can request a quote for rac Desethyl Oxybutynin Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac Desethyl Oxybutynin Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for rac Desethyl Oxybutynin Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.