Desoxyisoprenaline hydrochloride
TL;DR: Desoxyisoprenaline hydrochloride (CAS 5178-52-9) is a chemical compound with molecular formula C11H18ClNO2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochloride
Also Known As: Desoxyisoprenaline hydrochloride, N-Isopropyldopamine hydrochloride, Isopropyldopamine hydrochloride, Desoxyisoproterenol hydrochloride, N-IsopropyldopamineHydrochloride
| Molecular Formula | C11H18ClNO2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 2.0601 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.1026 |
| Heavy Atoms | 15 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 5178-52-9 |
|---|---|
| SMILES | CC(C)NCCC1=CC(=C(C=C1)O)O.Cl |
| InChIKey | MRYVSCVPICTKEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desoxyisoprenaline hydrochloride (CAS 5178-52-9), with molecular formula C11H18ClNO2 and molecular weight 231.10 g/mol. IUPAC: 4-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochloride.
Chemical Property Profile of Desoxyisoprenaline hydrochloride
Property Insights of Desoxyisoprenaline hydrochloride
The XLogP value of 2.0601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desoxyisoprenaline hydrochloride. With a topological polar surface area (TPSA) of 52.5 Ų, Desoxyisoprenaline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desoxyisoprenaline hydrochloride has 4 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 Desoxyisoprenaline hydrochloride?
The CAS number of Desoxyisoprenaline hydrochloride is 5178-52-9.
What is the molecular formula of Desoxyisoprenaline hydrochloride?
The molecular formula of Desoxyisoprenaline hydrochloride is C11H18ClNO2.
What is the molecular weight of Desoxyisoprenaline hydrochloride?
The molecular weight of Desoxyisoprenaline hydrochloride is 231.10 g/mol.
Where can I buy Desoxyisoprenaline hydrochloride?
You can request a quote for Desoxyisoprenaline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desoxyisoprenaline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Desoxyisoprenaline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.