螺仑洛尔
TL;DR: 螺仑洛尔 (CAS 81840-58-6) is a chemical compound with molecular formula C21H31NO3 and molecular weight 345.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
螺仑洛尔
4-[3-(tert-butylamino)-2-hydroxypropoxy]spiro[3H-indene-2,1'-cyclohexane]-1-one
Also Known As: Spirendolol, Spirendololum, espirendolol, spirendalol, Spirendolol [INN]
| Molecular Formula | C21H31NO3 |
|---|---|
| Molecular Weight | 345.23 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.2304 |
| Heavy Atoms | 25 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 81840-58-6 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC2=C1CC3(C2=O)CCCCC3)O |
| InChIKey | YLBMSIZZTJEEIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
螺仑洛尔 (CAS 81840-58-6), with molecular formula C21H31NO3 and molecular weight 345.23 g/mol. IUPAC: 4-[3-(tert-butylamino)-2-hydroxypropoxy]spiro[3H-indene-2,1'-cyclohexane]-1-one.
Chemical Property Profile of 螺仑洛尔
Property Insights of 螺仑洛尔
The XLogP value of 4.0 indicates that 螺仑洛尔 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, 螺仑洛尔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 螺仑洛尔 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 螺仑洛尔?
The CAS number of 螺仑洛尔 is 81840-58-6.
What is the molecular formula of 螺仑洛尔?
The molecular formula of 螺仑洛尔 is C21H31NO3.
What is the molecular weight of 螺仑洛尔?
The molecular weight of 螺仑洛尔 is 345.23 g/mol.
Where can I buy 螺仑洛尔?
You can request a quote for 螺仑洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 螺仑洛尔?
Yes, KEHONG BIO provides custom synthesis services for 螺仑洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.