A1377/0061690
TL;DR: A1377/0061690 (CAS 160892-46-6) is a chemical compound with molecular formula C12H10F11NO and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]azepan-2-one
Also Known As: A1377/0061690, 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]azepan-2-one, 1-[3,3,3-Trifluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1-propenyl]-2-azepanone, 1-[3,3,3-trifluoro-1-(pentafluoroethyl)-2-(trifluoromethyl)prop-1-en-1-yl]azepan-2-one, 1-[3,3,3-Trifluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1-propenyl]-2-azepanone #
| Molecular Formula | C12H10F11NO |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.0587 |
| Heavy Atoms | 25 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 160892-46-6 |
|---|---|
| SMILES | C1CCC(=O)N(CC1)C(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(F)F |
| InChIKey | DCAUMFLZGNQRRN-UHFFFAOYSA-N |
Product Overview
A1377/0061690 (CAS 160892-46-6), with molecular formula C12H10F11NO and molecular weight 393.06 g/mol. IUPAC: 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]azepan-2-one.
Chemical Property Profile of A1377/0061690
Property Insights of A1377/0061690
The XLogP value of 4.5 indicates that A1377/0061690 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, A1377/0061690 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1377/0061690 has 0 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 A1377/0061690?
The CAS number of A1377/0061690 is 160892-46-6.
What is the molecular formula of A1377/0061690?
The molecular formula of A1377/0061690 is C12H10F11NO.
What is the molecular weight of A1377/0061690?
The molecular weight of A1377/0061690 is 393.06 g/mol.
Where can I buy A1377/0061690?
You can request a quote for A1377/0061690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1377/0061690?
Yes, KEHONG BIO provides custom synthesis services for A1377/0061690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.