2-Amino-1-phenyl-1,3-propanediol
TL;DR: 2-Amino-1-phenyl-1,3-propanediol (CAS 55057-81-3) 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.
2-amino-1-phenylpropane-1,3-diol
Also Known As: 2-AMINO-1-PHENYL-1,3-PROPANEDIOL, 2-amino-1-phenylpropane-1,3-diol, (1S,2S)-(+)-2-Amino-1-phenyl-1,3-propanediol, (1R,2R)-(-)-2-Amino-1-phenyl-1,3-propanediol, (1R,2R)-2-amino-1-phenylpropane-1,3-diol
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | -0.2 |
| 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 | 124.0 |
Chemical Identifiers
| CAS Number | 55057-81-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(CO)N)O |
| InChIKey | JUCGVCVPNPBJIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-1-phenyl-1,3-propanediol (CAS 55057-81-3), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 2-amino-1-phenylpropane-1,3-diol.
Chemical Property Profile of 2-Amino-1-phenyl-1,3-propanediol
Property Insights of 2-Amino-1-phenyl-1,3-propanediol
The XLogP value of -0.2 indicates that 2-Amino-1-phenyl-1,3-propanediol 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 2-Amino-1-phenyl-1,3-propanediol. Following Lipinski's Rule of Five, 2-Amino-1-phenyl-1,3-propanediol 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 2-Amino-1-phenyl-1,3-propanediol?
The CAS number of 2-Amino-1-phenyl-1,3-propanediol is 55057-81-3.
What is the molecular formula of 2-Amino-1-phenyl-1,3-propanediol?
The molecular formula of 2-Amino-1-phenyl-1,3-propanediol is C9H13NO2.
What is the molecular weight of 2-Amino-1-phenyl-1,3-propanediol?
The molecular weight of 2-Amino-1-phenyl-1,3-propanediol is 167.09 g/mol.
Where can I buy 2-Amino-1-phenyl-1,3-propanediol?
You can request a quote for 2-Amino-1-phenyl-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1-phenyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-phenyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.