塞利洛尔
TL;DR: 塞利洛尔 (CAS 56980-93-9) is a chemical compound with molecular formula C20H33N3O4 and molecular weight 379.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
塞利洛尔
3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
Also Known As: celiprolol, Celiprololum, Celectol, Selectol, Celiprolol PCH
| Molecular Formula | C20H33N3O4 |
|---|---|
| Molecular Weight | 379.25 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 379.2471 |
| Heavy Atoms | 27 |
| Complexity | 474.0 |
| Melting Point | 120-122 |
Chemical Identifiers
| CAS Number | 56980-93-9 |
|---|---|
| SMILES | CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C |
| InChIKey | JOATXPAWOHTVSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
塞利洛尔 (CAS 56980-93-9), with molecular formula C20H33N3O4 and molecular weight 379.25 g/mol. IUPAC: 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea.
Chemical Property Profile of 塞利洛尔
Property Insights of 塞利洛尔
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 塞利洛尔. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 塞利洛尔. Following Lipinski's Rule of Five, 塞利洛尔 has 3 hydrogen bond donor(s) and 5 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 塞利洛尔?
The CAS number of 塞利洛尔 is 56980-93-9.
What is the molecular formula of 塞利洛尔?
The molecular formula of 塞利洛尔 is C20H33N3O4.
What is the molecular weight of 塞利洛尔?
The molecular weight of 塞利洛尔 is 379.25 g/mol.
Where can I buy 塞利洛尔?
You can request a quote for 塞利洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 塞利洛尔?
Yes, KEHONG BIO provides custom synthesis services for 塞利洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.