bometolol, ethanedioate salt
TL;DR: bometolol, ethanedioate salt (CAS 65008-94-8) is a chemical compound with molecular formula C27H34N2O11 and molecular weight 562.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one;oxalic acid
Also Known As: bometolol, ethanedioate salt, 2(1H)-Quinolinone, 3,4-dihydro-5-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-8-(2-oxopropoxy)-, ethanedioate (salt), 2(1H)-Quinolinone,3,4-dihydro-5-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-8-(2-oxopropoxy)-,ethanedioate (salt), 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one,oxalic acid, 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one; oxalic acid
| Molecular Formula | C27H34N2O11 |
|---|---|
| Molecular Weight | 562.22 g/mol |
| LogP | 1.2839 |
| Topological Polar Surface Area | 189.95 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 562.21625 |
| Heavy Atoms | 40 |
| Complexity | 1187.2424 |
Chemical Identifiers
| CAS Number | 65008-94-8 |
|---|---|
| SMILES | CC(=O)COC1=C2C(=C(C=C1)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O)CCC(=O)N2.C(=O)(C(=O)O)O |
Product Overview
bometolol, ethanedioate salt (CAS 65008-94-8), with molecular formula C27H34N2O11 and molecular weight 562.22 g/mol. IUPAC: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one;oxalic acid.
Chemical Property Profile of bometolol, ethanedioate salt
Property Insights of bometolol, ethanedioate salt
The XLogP value of 1.2839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for bometolol, ethanedioate salt. The TPSA of 189.95 Ų indicates high polarity, suggesting bometolol, ethanedioate salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, bometolol, ethanedioate salt has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of bometolol, ethanedioate salt?
The CAS number of bometolol, ethanedioate salt is 65008-94-8.
What is the molecular formula of bometolol, ethanedioate salt?
The molecular formula of bometolol, ethanedioate salt is C27H34N2O11.
What is the molecular weight of bometolol, ethanedioate salt?
The molecular weight of bometolol, ethanedioate salt is 562.22 g/mol.
Where can I buy bometolol, ethanedioate salt?
You can request a quote for bometolol, ethanedioate salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bometolol, ethanedioate salt?
Yes, KEHONG BIO provides custom synthesis services for bometolol, ethanedioate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.