Cetamolol Hydrochloride
TL;DR: Cetamolol Hydrochloride (CAS 77590-95-5) is a chemical compound with molecular formula C16H27ClN2O4 and molecular weight 346.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]-N-methylacetamide;hydrochloride
Also Known As: CETAMOLOL HYDROCHLORIDE, Cetamolol HCl, Cetamolol hydrochloride [USAN], Cetamolol (hydrochloride), Cetamolol hydrochloride (USAN)
| Molecular Formula | C16H27ClN2O4 |
|---|---|
| Molecular Weight | 346.17 g/mol |
| LogP | 1.36 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 346.16592 |
| Heavy Atoms | 23 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 77590-95-5 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1OCC(=O)NC)O.Cl |
| InChIKey | CRYTUFSEASFGMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cetamolol Hydrochloride (CAS 77590-95-5), with molecular formula C16H27ClN2O4 and molecular weight 346.17 g/mol. IUPAC: 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]-N-methylacetamide;hydrochloride.
Chemical Property Profile of Cetamolol Hydrochloride
Property Insights of Cetamolol Hydrochloride
The XLogP value of 1.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cetamolol Hydrochloride. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cetamolol Hydrochloride. Following Lipinski's Rule of Five, Cetamolol Hydrochloride has 4 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 Cetamolol Hydrochloride?
The CAS number of Cetamolol Hydrochloride is 77590-95-5.
What is the molecular formula of Cetamolol Hydrochloride?
The molecular formula of Cetamolol Hydrochloride is C16H27ClN2O4.
What is the molecular weight of Cetamolol Hydrochloride?
The molecular weight of Cetamolol Hydrochloride is 346.17 g/mol.
Where can I buy Cetamolol Hydrochloride?
You can request a quote for Cetamolol Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetamolol Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cetamolol Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.