艾司洛爾
TL;DR: 艾司洛爾 (CAS 81147-92-4) is a chemical compound with molecular formula C16H25NO4 and molecular weight 295.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
艾司洛爾
methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
Also Known As: ESMOLOL, Brevibloc, Esmolol hydrochloride, esmololum, (+-)-Esmolol
| Molecular Formula | C16H25NO4 |
|---|---|
| Molecular Weight | 295.18 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 295.17834 |
| Heavy Atoms | 21 |
| Complexity | 288.0 |
| Solubility | Very soluble as hydrochloride salt |
Chemical Identifiers
| CAS Number | 81147-92-4 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O |
| InChIKey | AQNDDEOPVVGCPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
艾司洛爾 (CAS 81147-92-4), with molecular formula C16H25NO4 and molecular weight 295.18 g/mol. IUPAC: methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate.
Chemical Property Profile of 艾司洛爾
Property Insights of 艾司洛爾
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 艾司洛爾. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 艾司洛爾. Following Lipinski's Rule of Five, 艾司洛爾 has 2 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 艾司洛爾?
The CAS number of 艾司洛爾 is 81147-92-4.
What is the molecular formula of 艾司洛爾?
The molecular formula of 艾司洛爾 is C16H25NO4.
What is the molecular weight of 艾司洛爾?
The molecular weight of 艾司洛爾 is 295.18 g/mol.
Where can I buy 艾司洛爾?
You can request a quote for 艾司洛爾 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 艾司洛爾?
Yes, KEHONG BIO provides custom synthesis services for 艾司洛爾 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.