Bionet1_003939
TL;DR: Bionet1_003939 (CAS 478043-12-8) is a chemical compound with molecular formula C21H25N3O5 and molecular weight 399.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3,3-dimethyl-1-(2-nitrophenoxy)butan-2-ylidene]amino] N-(2,6-dimethylphenyl)carbamate
Also Known As: Bionet1_003939, DivK1c_002435, CDS1_001395, N-{[(2,6-dimethylanilino)carbonyl]oxy}-N-{(E)-2,2-dimethyl-1-[(2-nitrophenoxy)methyl]propylidene}amine, [[3,3-dimethyl-1-(2-nitrophenoxy)butan-2-ylidene]amino] N-(2,6-dimethylphenyl)carbamate
| Molecular Formula | C21H25N3O5 |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 5.24124 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.1794 |
| Heavy Atoms | 29 |
| Complexity | 911.90405 |
Chemical Identifiers
| CAS Number | 478043-12-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)ON=C(COC2=CC=CC=C2[N+](=O)[O-])C(C)(C)C |
Product Overview
Bionet1_003939 (CAS 478043-12-8), with molecular formula C21H25N3O5 and molecular weight 399.18 g/mol. IUPAC: [[3,3-dimethyl-1-(2-nitrophenoxy)butan-2-ylidene]amino] N-(2,6-dimethylphenyl)carbamate.
Chemical Property Profile of Bionet1_003939
Property Insights of Bionet1_003939
The XLogP value of 5.24124 indicates that Bionet1_003939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_003939. Following Lipinski's Rule of Five, Bionet1_003939 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_003939?
The CAS number of Bionet1_003939 is 478043-12-8.
What is the molecular formula of Bionet1_003939?
The molecular formula of Bionet1_003939 is C21H25N3O5.
What is the molecular weight of Bionet1_003939?
The molecular weight of Bionet1_003939 is 399.18 g/mol.
Where can I buy Bionet1_003939?
You can request a quote for Bionet1_003939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003939?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.