2-Chloro-4'-fluoropropiophenone
TL;DR: 2-Chloro-4'-fluoropropiophenone (CAS 347-58-0) is a chemical compound with molecular formula C21H39N9O9 and molecular weight 561.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,6S,9S)-3,6,9-tris[3-(hydroxyamino)propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Also Known As: 2-Chloro-4'-fluoropropiophenone, 3,6,9-Tris(3-(hydroxyamino)propyl)-1,4,7,10,13,16-hexaazacyclooctadecane-2,5,8,11,14,17-hexone, (3R,6S,9S)-3,6,9-Tris[3-(hydroxyamino)propyl]-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol, (3R,6S,9S)-3,6,9-tris[3-(hydroxyamino)propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone, 1,4,7,10,13,16-Hexaazacyclooctadecane-2,5,8,11,14,17-hexone, 3,6,9-tris(3-(hydroxyamino)propyl)-
| Molecular Formula | C21H39N9O9 |
|---|---|
| Molecular Weight | 561.29 g/mol |
| LogP | -4.4 |
| Topological Polar Surface Area | 271.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 561.28705 |
| Heavy Atoms | 39 |
| Complexity | 831.0 |
Chemical Identifiers
| CAS Number | 347-58-0 |
|---|---|
| SMILES | C1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N1)CCCNO)CCCNO)CCCNO |
| InChIKey | KGMHLKULJGDHDX-ILXRZTDVSA-N |
Product Overview
2-Chloro-4'-fluoropropiophenone (CAS 347-58-0), with molecular formula C21H39N9O9 and molecular weight 561.29 g/mol. IUPAC: (3R,6S,9S)-3,6,9-tris[3-(hydroxyamino)propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone.
Chemical Property Profile of 2-Chloro-4'-fluoropropiophenone
Property Insights of 2-Chloro-4'-fluoropropiophenone
The XLogP value of -4.4 indicates that 2-Chloro-4'-fluoropropiophenone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 271.0 Ų indicates high polarity, suggesting 2-Chloro-4'-fluoropropiophenone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Chloro-4'-fluoropropiophenone has 12 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-4'-fluoropropiophenone?
The CAS number of 2-Chloro-4'-fluoropropiophenone is 347-58-0.
What is the molecular formula of 2-Chloro-4'-fluoropropiophenone?
The molecular formula of 2-Chloro-4'-fluoropropiophenone is C21H39N9O9.
What is the molecular weight of 2-Chloro-4'-fluoropropiophenone?
The molecular weight of 2-Chloro-4'-fluoropropiophenone is 561.29 g/mol.
Where can I buy 2-Chloro-4'-fluoropropiophenone?
You can request a quote for 2-Chloro-4'-fluoropropiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4'-fluoropropiophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4'-fluoropropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.