Spasmolytol
TL;DR: Spasmolytol (CAS 25333-96-4) is a chemical compound with molecular formula C14H21Br2NO2 and molecular weight 392.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dibromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine
Also Known As: Spasmolytol, SPASMOLYTOL [MI], SPASMOLYTOLGCSTANDARD, SPASMOLYTOL GC STANDARD, 2-(3,5-Dibromo-2-methoxybenzyloxy)triethylamine
| Molecular Formula | C14H21Br2NO2 |
|---|---|
| Molecular Weight | 392.99 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.99185 |
| Heavy Atoms | 19 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 25333-96-4 |
|---|---|
| SMILES | CCN(CC)CCOCC1=C(C(=CC(=C1)Br)Br)OC |
| InChIKey | NPKOWFSBIXNSIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spasmolytol (CAS 25333-96-4), with molecular formula C14H21Br2NO2 and molecular weight 392.99 g/mol. IUPAC: 2-[(3,5-dibromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine.
Chemical Property Profile of Spasmolytol
Property Insights of Spasmolytol
The XLogP value of 3.7 indicates that Spasmolytol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, Spasmolytol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spasmolytol has 0 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 Spasmolytol?
The CAS number of Spasmolytol is 25333-96-4.
What is the molecular formula of Spasmolytol?
The molecular formula of Spasmolytol is C14H21Br2NO2.
What is the molecular weight of Spasmolytol?
The molecular weight of Spasmolytol is 392.99 g/mol.
Where can I buy Spasmolytol?
You can request a quote for Spasmolytol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spasmolytol?
Yes, KEHONG BIO provides custom synthesis services for Spasmolytol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.