2,2-Dichloro-1-phenyl-1,3-propanediol
TL;DR: 2,2-Dichloro-1-phenyl-1,3-propanediol (CAS 54852-70-9) is a chemical compound with molecular formula C9H10Cl2O2 and molecular weight 220.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-1-phenylpropane-1,3-diol
Also Known As: 2,2-Dichloro-1-phenyl-1,3-propanediol, 2,2-dichloro-1-phenylpropane-1,3-diol, 1,3-Propanediol, 2,2-dichloro-1-phenyl-, 2,2-Dichloro-1-phenyl-1,3-propanediol #
| Molecular Formula | C9H10Cl2O2 |
|---|---|
| Molecular Weight | 220.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.00578 |
| Heavy Atoms | 13 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 54852-70-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(CO)(Cl)Cl)O |
| InChIKey | SCYJEJYTVSCOCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dichloro-1-phenyl-1,3-propanediol (CAS 54852-70-9), with molecular formula C9H10Cl2O2 and molecular weight 220.01 g/mol. IUPAC: 2,2-dichloro-1-phenylpropane-1,3-diol.
Chemical Property Profile of 2,2-Dichloro-1-phenyl-1,3-propanediol
Property Insights of 2,2-Dichloro-1-phenyl-1,3-propanediol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloro-1-phenyl-1,3-propanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2,2-Dichloro-1-phenyl-1,3-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloro-1-phenyl-1,3-propanediol has 2 hydrogen bond donor(s) and 2 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 2,2-Dichloro-1-phenyl-1,3-propanediol?
The CAS number of 2,2-Dichloro-1-phenyl-1,3-propanediol is 54852-70-9.
What is the molecular formula of 2,2-Dichloro-1-phenyl-1,3-propanediol?
The molecular formula of 2,2-Dichloro-1-phenyl-1,3-propanediol is C9H10Cl2O2.
What is the molecular weight of 2,2-Dichloro-1-phenyl-1,3-propanediol?
The molecular weight of 2,2-Dichloro-1-phenyl-1,3-propanediol is 220.01 g/mol.
Where can I buy 2,2-Dichloro-1-phenyl-1,3-propanediol?
You can request a quote for 2,2-Dichloro-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 2,2-Dichloro-1-phenyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloro-1-phenyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.