VU0612613-1
TL;DR: VU0612613-1 (CAS 355812-97-4) is a chemical compound with molecular formula C16H10Cl3N3O6 and molecular weight 444.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
Also Known As: VU0612613-1, F3371-0212, N'-[(1E)-(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-2-(2,4,5-TRICHLOROPHENOXY)ACETOHYDRAZIDE, N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-(2,4,5-trichlorophenoxy)acetohydrazide, N-[(6-nitrobenzo[1,3]dioxol-5-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
| Molecular Formula | C16H10Cl3N3O6 |
|---|---|
| Molecular Weight | 444.96 g/mol |
| LogP | 3.8128 |
| Topological Polar Surface Area | 112.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.96353 |
| Heavy Atoms | 28 |
| Complexity | 982.58246 |
Chemical Identifiers
| CAS Number | 355812-97-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)COC3=CC(=C(C=C3Cl)Cl)Cl)[N+](=O)[O-] |
Product Overview
VU0612613-1 (CAS 355812-97-4), with molecular formula C16H10Cl3N3O6 and molecular weight 444.96 g/mol. IUPAC: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.
Chemical Property Profile of VU0612613-1
Property Insights of VU0612613-1
The XLogP value of 3.8128 indicates that VU0612613-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.29 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0612613-1. Following Lipinski's Rule of Five, VU0612613-1 has 1 hydrogen bond donor(s) and 7 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 VU0612613-1?
The CAS number of VU0612613-1 is 355812-97-4.
What is the molecular formula of VU0612613-1?
The molecular formula of VU0612613-1 is C16H10Cl3N3O6.
What is the molecular weight of VU0612613-1?
The molecular weight of VU0612613-1 is 444.96 g/mol.
Where can I buy VU0612613-1?
You can request a quote for VU0612613-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0612613-1?
Yes, KEHONG BIO provides custom synthesis services for VU0612613-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.