倍他洛尔
TL;DR: 倍他洛尔 (CAS 63659-18-7) is a chemical compound with molecular formula C18H29NO3 and molecular weight 307.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
倍他洛尔
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Also Known As: betaxolol, Betaxololum, Betoptic, Kerlone, Betaxolol HCL
| Molecular Formula | C18H29NO3 |
|---|---|
| Molecular Weight | 307.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 307.21475 |
| Heavy Atoms | 22 |
| Complexity | 286.0 |
| Melting Point | 70-72 °C |
| Solubility | 451 |
Chemical Identifiers
| CAS Number | 63659-18-7 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O |
| InChIKey | NWIUTZDMDHAVTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
倍他洛尔 (CAS 63659-18-7), with molecular formula C18H29NO3 and molecular weight 307.21 g/mol. IUPAC: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.
Chemical Property Profile of 倍他洛尔
Property Insights of 倍他洛尔
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 倍他洛尔. With a topological polar surface area (TPSA) of 50.7 Ų, 倍他洛尔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 倍他洛尔 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 倍他洛尔?
The CAS number of 倍他洛尔 is 63659-18-7.
What is the molecular formula of 倍他洛尔?
The molecular formula of 倍他洛尔 is C18H29NO3.
What is the molecular weight of 倍他洛尔?
The molecular weight of 倍他洛尔 is 307.21 g/mol.
Where can I buy 倍他洛尔?
You can request a quote for 倍他洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 倍他洛尔?
Yes, KEHONG BIO provides custom synthesis services for 倍他洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.