1,1,3-三氯丙酮
TL;DR: 1,1,3-三氯丙酮 (CAS 921-03-9) is a chemical compound with molecular formula C3H3Cl3O and molecular weight 159.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,3-三氯丙酮
1,1,3-trichloropropan-2-one
Also Known As: 1,1,3-TRICHLOROACETONE, 1,1,3-trichloropropan-2-one, 1,1,3-Trichloro-2-propanone, 1,1,3-Trichloropropanone, 2-Propanone, 1,1,3-trichloro-
| Molecular Formula | C3H3Cl3O |
|---|---|
| Molecular Weight | 159.92 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.92494 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 921-03-9 |
|---|---|
| SMILES | C(C(=O)C(Cl)Cl)Cl |
| InChIKey | ZWILTCXCTVMANU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,3-三氯丙酮 (CAS 921-03-9), with molecular formula C3H3Cl3O and molecular weight 159.92 g/mol. IUPAC: 1,1,3-trichloropropan-2-one.
Chemical Property Profile of 1,1,3-三氯丙酮
Property Insights of 1,1,3-三氯丙酮
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,3-三氯丙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,3-三氯丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,3-三氯丙酮 has 0 hydrogen bond donor(s) and 1 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 1,1,3-三氯丙酮?
The CAS number of 1,1,3-三氯丙酮 is 921-03-9.
What is the molecular formula of 1,1,3-三氯丙酮?
The molecular formula of 1,1,3-三氯丙酮 is C3H3Cl3O.
What is the molecular weight of 1,1,3-三氯丙酮?
The molecular weight of 1,1,3-三氯丙酮 is 159.92 g/mol.
Where can I buy 1,1,3-三氯丙酮?
You can request a quote for 1,1,3-三氯丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,3-三氯丙酮?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3-三氯丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.