5-Carboxybupranolol
TL;DR: 5-Carboxybupranolol (CAS 42242-69-3) is a chemical compound with molecular formula C14H20ClNO4 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid
Also Known As: 5-Carboxybupranolol, 1-tert-Butylamino-3-(2-chloro-5-carboxyphenoxy)propan-2-ol, 3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid, 1-tert-Butylamino-3-(2-chloro-5-carboxyphenoxy)-2-propanol, Benzoic acid, 4-chloro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-
| Molecular Formula | C14H20ClNO4 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 2.166 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.1081 |
| Heavy Atoms | 20 |
| Complexity | 470.73196 |
Chemical Identifiers
| CAS Number | 42242-69-3 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=C(C=CC(=C1)C(=O)O)Cl)O |
Product Overview
5-Carboxybupranolol (CAS 42242-69-3), with molecular formula C14H20ClNO4 and molecular weight 301.11 g/mol. IUPAC: 3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid.
Chemical Property Profile of 5-Carboxybupranolol
Property Insights of 5-Carboxybupranolol
The XLogP value of 2.166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Carboxybupranolol. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Carboxybupranolol. Following Lipinski's Rule of Five, 5-Carboxybupranolol has 3 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 5-Carboxybupranolol?
The CAS number of 5-Carboxybupranolol is 42242-69-3.
What is the molecular formula of 5-Carboxybupranolol?
The molecular formula of 5-Carboxybupranolol is C14H20ClNO4.
What is the molecular weight of 5-Carboxybupranolol?
The molecular weight of 5-Carboxybupranolol is 301.11 g/mol.
Where can I buy 5-Carboxybupranolol?
You can request a quote for 5-Carboxybupranolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Carboxybupranolol?
Yes, KEHONG BIO provides custom synthesis services for 5-Carboxybupranolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.