1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)-
TL;DR: 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)- (CAS 1939-79-3) is a chemical compound with molecular formula C12H15ClO4 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-2-(2,3-dihydroxypropoxy)phenyl]propan-1-one
Also Known As: 1-[3-chloro-2-(2,3-dihydroxypropoxy)phenyl]propan-1-one, 3-(6-Chloro-2-propionylphenoxy)-1,2-propanediol, 1,2-Propanediol, 3-(6-chloro-2-propionylphenoxy)-, Propiophenone, 3'-chloro-2'-(2,3-dihydroxypropoxy)-, 3 -Chloro-2 -(2,3-dihydroxypropoxy)propiophenone
| Molecular Formula | C12H15ClO4 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.0659 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 1939-79-3 |
|---|---|
| SMILES | CCC(=O)C1=C(C(=CC=C1)Cl)OCC(CO)O |
| InChIKey | WDLMCPBWFMDGOK-UHFFFAOYSA-N |
Product Overview
1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)- (CAS 1939-79-3), with molecular formula C12H15ClO4 and molecular weight 258.07 g/mol. IUPAC: 1-[3-chloro-2-(2,3-dihydroxypropoxy)phenyl]propan-1-one.
Chemical Property Profile of 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)-
Property Insights of 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)-. Following Lipinski's Rule of Five, 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)- has 2 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 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)-?
The CAS number of 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)- is 1939-79-3.
What is the molecular formula of 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)-?
The molecular formula of 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)- is C12H15ClO4.
What is the molecular weight of 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)-?
The molecular weight of 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)- is 258.07 g/mol.
Where can I buy 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)-?
You can request a quote for 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 1-(3-chloro-2-(2,3-dihydroxypropoxy)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.