乙酸铽
TL;DR: 乙酸铽 (CAS 25519-07-7) is a chemical compound with molecular formula C6H7Cl3O3 and molecular weight 231.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸铽
(4,4,4-trichloro-3-oxobutan-2-yl) acetate
Also Known As: 4,4,4-trichloro-3-oxobutan-2-yl acetate, (4,4,4-trichloro-3-oxobutan-2-yl) acetate, 1,1,1-Trichlor-3-acetoxy-2-butanon, 3-acetoxy-1,1,1-trichloro-butan-2-one, 2-Butanone,3-(acetyloxy)-1,1,1-trichloro-
| Molecular Formula | C6H7Cl3O3 |
|---|---|
| Molecular Weight | 231.95 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.94608 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 25519-07-7 |
|---|---|
| SMILES | CC(C(=O)C(Cl)(Cl)Cl)OC(=O)C |
| InChIKey | MJEUZBHHXGMOHD-UHFFFAOYSA-N |
Product Overview
乙酸铽 (CAS 25519-07-7), with molecular formula C6H7Cl3O3 and molecular weight 231.95 g/mol. IUPAC: (4,4,4-trichloro-3-oxobutan-2-yl) acetate.
Chemical Property Profile of 乙酸铽
Property Insights of 乙酸铽
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酸铽. With a topological polar surface area (TPSA) of 43.4 Ų, 乙酸铽 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸铽 has 0 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 乙酸铽?
The CAS number of 乙酸铽 is 25519-07-7.
What is the molecular formula of 乙酸铽?
The molecular formula of 乙酸铽 is C6H7Cl3O3.
What is the molecular weight of 乙酸铽?
The molecular weight of 乙酸铽 is 231.95 g/mol.
Where can I buy 乙酸铽?
You can request a quote for 乙酸铽 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸铽?
Yes, KEHONG BIO provides custom synthesis services for 乙酸铽 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.