4-(3-Aminopropyl)benzene-1,2-diol
TL;DR: 4-(3-Aminopropyl)benzene-1,2-diol (CAS 52336-45-5) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-aminopropyl)benzene-1,2-diol
Also Known As: 4-(3-aminopropyl)benzene-1,2-diol, 4-(3-Aminopropyl)-1,2-benzenediol, 4-(3-Aminopropyl)-1,2-benzenediol HBr, 1,2-Benzenediol,4-(2-aminopropyl)-, 4-(3-amino-propyl)-benzene-1,2-diol
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 52336-45-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCCN)O)O |
| InChIKey | JDMNLLVJYLMTPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Aminopropyl)benzene-1,2-diol (CAS 52336-45-5), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 4-(3-aminopropyl)benzene-1,2-diol.
Chemical Property Profile of 4-(3-Aminopropyl)benzene-1,2-diol
Property Insights of 4-(3-Aminopropyl)benzene-1,2-diol
The XLogP value of -0.6 indicates that 4-(3-Aminopropyl)benzene-1,2-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Aminopropyl)benzene-1,2-diol. Following Lipinski's Rule of Five, 4-(3-Aminopropyl)benzene-1,2-diol has 3 hydrogen bond donor(s) and 3 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-(3-Aminopropyl)benzene-1,2-diol?
The CAS number of 4-(3-Aminopropyl)benzene-1,2-diol is 52336-45-5.
What is the molecular formula of 4-(3-Aminopropyl)benzene-1,2-diol?
The molecular formula of 4-(3-Aminopropyl)benzene-1,2-diol is C9H13NO2.
What is the molecular weight of 4-(3-Aminopropyl)benzene-1,2-diol?
The molecular weight of 4-(3-Aminopropyl)benzene-1,2-diol is 167.09 g/mol.
Where can I buy 4-(3-Aminopropyl)benzene-1,2-diol?
You can request a quote for 4-(3-Aminopropyl)benzene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Aminopropyl)benzene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Aminopropyl)benzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.