4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol
TL;DR: 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol (CAS 114662-37-2) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1,5-diol
Also Known As: 4,8-Dihydroxypropranolol, 4,8-Dhp, KST-1B0178, 1,5-Naphthalenediol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1,5-diol
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 114662-37-2 |
|---|---|
| SMILES | CC(C)NCC(COC1=C2C(=C(C=C1)O)C=CC=C2O)O |
| InChIKey | KBQGDOTZGXVBLR-UHFFFAOYSA-N |
Product Overview
4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol (CAS 114662-37-2), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1,5-diol.
Chemical Property Profile of 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol
Property Insights of 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol. Following Lipinski's Rule of Five, 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol 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 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol?
The CAS number of 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol is 114662-37-2.
What is the molecular formula of 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol?
The molecular formula of 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol is C16H21NO4.
What is the molecular weight of 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol?
The molecular weight of 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol is 291.15 g/mol.
Where can I buy 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol?
You can request a quote for 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-1,5-naphthalenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.