4-乙酯基六氟丁酰氯
TL;DR: 4-乙酯基六氟丁酰氯 (CAS 21316-28-9) is a chemical compound with molecular formula C7H5ClF6O3 and molecular weight 285.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙酯基六氟丁酰氯
ethyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate
Also Known As: Ethyl Hexafluoroglutaryl Chloride, 4-Carbethoxyhexafluorobutyryl chloride, 4CE-Hfba, Ethylhexafluoroglutarylchloride, Dimethyl bromoterephthalate
| Molecular Formula | C7H5ClF6O3 |
|---|---|
| Molecular Weight | 285.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.98315 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 21316-28-9 |
|---|---|
| SMILES | CCOC(=O)C(C(C(C(=O)Cl)(F)F)(F)F)(F)F |
| InChIKey | OLRXGDHRDQKNGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙酯基六氟丁酰氯 (CAS 21316-28-9), with molecular formula C7H5ClF6O3 and molecular weight 285.98 g/mol. IUPAC: ethyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate.
Chemical Property Profile of 4-乙酯基六氟丁酰氯
Property Insights of 4-乙酯基六氟丁酰氯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙酯基六氟丁酰氯. With a topological polar surface area (TPSA) of 43.4 Ų, 4-乙酯基六氟丁酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙酯基六氟丁酰氯 has 0 hydrogen bond donor(s) and 9 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 4-乙酯基六氟丁酰氯?
The CAS number of 4-乙酯基六氟丁酰氯 is 21316-28-9.
What is the molecular formula of 4-乙酯基六氟丁酰氯?
The molecular formula of 4-乙酯基六氟丁酰氯 is C7H5ClF6O3.
What is the molecular weight of 4-乙酯基六氟丁酰氯?
The molecular weight of 4-乙酯基六氟丁酰氯 is 285.98 g/mol.
Where can I buy 4-乙酯基六氟丁酰氯?
You can request a quote for 4-乙酯基六氟丁酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙酯基六氟丁酰氯?
Yes, KEHONG BIO provides custom synthesis services for 4-乙酯基六氟丁酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.