Bionet1_002827
TL;DR: Bionet1_002827 (CAS 478048-94-1) is a chemical compound with molecular formula C20H29N3O5 and molecular weight 391.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3,3-dimethyl-1-(4-methyl-2-nitrophenoxy)butan-2-ylidene]amino] N-cyclohexylcarbamate
Also Known As: Bionet1_002827, 1-[2-({[(cyclohexylamino)carbonyl]oxy}imino)-3,3-dimethylbutoxy]-4-methyl-2-nitrobenzene, [[3,3-dimethyl-1-(4-methyl-2-nitrophenoxy)butan-2-ylidene]amino] N-cyclohexylcarbamate
| Molecular Formula | C20H29N3O5 |
|---|---|
| Molecular Weight | 391.21 g/mol |
| LogP | 4.74302 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.21072 |
| Heavy Atoms | 28 |
| Complexity | 733.847 |
Chemical Identifiers
| CAS Number | 478048-94-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=NOC(=O)NC2CCCCC2)C(C)(C)C)[N+](=O)[O-] |
Product Overview
Bionet1_002827 (CAS 478048-94-1), with molecular formula C20H29N3O5 and molecular weight 391.21 g/mol. IUPAC: [[3,3-dimethyl-1-(4-methyl-2-nitrophenoxy)butan-2-ylidene]amino] N-cyclohexylcarbamate.
Chemical Property Profile of Bionet1_002827
Property Insights of Bionet1_002827
The XLogP value of 4.74302 indicates that Bionet1_002827 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_002827. Following Lipinski's Rule of Five, Bionet1_002827 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 Bionet1_002827?
The CAS number of Bionet1_002827 is 478048-94-1.
What is the molecular formula of Bionet1_002827?
The molecular formula of Bionet1_002827 is C20H29N3O5.
What is the molecular weight of Bionet1_002827?
The molecular weight of Bionet1_002827 is 391.21 g/mol.
Where can I buy Bionet1_002827?
You can request a quote for Bionet1_002827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002827?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.