BAS 00835284
TL;DR: BAS 00835284 (CAS 332031-97-7) is a chemical compound with molecular formula C12H4F9N3O6 and molecular weight 457.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dinitrophenyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide
Also Known As: BAS 00835284, N-(2,4-dinitrophenyl)-2,2-difluoro-2-(perfluorofuran-2-yl)acetamide, N-(2,4-dinitrophenyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide, N-(2,4-dinitrophenyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorotetrahydrofuran-2-yl)acetamide
| Molecular Formula | C12H4F9N3O6 |
|---|---|
| Molecular Weight | 457.00 g/mol |
| LogP | 3.6362 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.99564 |
| Heavy Atoms | 30 |
| Complexity | 940.0066 |
Chemical Identifiers
| CAS Number | 332031-97-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C(C2(C(C(C(O2)(F)F)(F)F)(F)F)F)(F)F |
Product Overview
BAS 00835284 (CAS 332031-97-7), with molecular formula C12H4F9N3O6 and molecular weight 457.00 g/mol. IUPAC: N-(2,4-dinitrophenyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide.
Chemical Property Profile of BAS 00835284
Property Insights of BAS 00835284
The XLogP value of 3.6362 indicates that BAS 00835284 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00835284. Following Lipinski's Rule of Five, BAS 00835284 has 1 hydrogen bond donor(s) and 6 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 BAS 00835284?
The CAS number of BAS 00835284 is 332031-97-7.
What is the molecular formula of BAS 00835284?
The molecular formula of BAS 00835284 is C12H4F9N3O6.
What is the molecular weight of BAS 00835284?
The molecular weight of BAS 00835284 is 457.00 g/mol.
Where can I buy BAS 00835284?
You can request a quote for BAS 00835284 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00835284?
Yes, KEHONG BIO provides custom synthesis services for BAS 00835284 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.