VU0612587-1
TL;DR: VU0612587-1 (CAS 357422-20-9) is a chemical compound with molecular formula C16H12N4O7 and molecular weight 372.07 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-(4-nitrophenyl)acetamide
Also Known As: VU0612587-1, F3371-0047, (E)-N'-((6-nitrobenzo[d][1,3]dioxol-5-yl)methylene)-2-(4-nitrophenyl)acetohydrazide, N'-[(1E)-(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-2-(4-NITROPHENYL)ACETOHYDRAZIDE, N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
| Molecular Formula | C16H12N4O7 |
|---|---|
| Molecular Weight | 372.07 g/mol |
| LogP | 1.9245 |
| Topological Polar Surface Area | 146.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.0706 |
| Heavy Atoms | 27 |
| Complexity | 940.53015 |
Chemical Identifiers
| CAS Number | 357422-20-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
VU0612587-1 (CAS 357422-20-9), with molecular formula C16H12N4O7 and molecular weight 372.07 g/mol. IUPAC: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-nitrophenyl)acetamide.
Chemical Property Profile of VU0612587-1
Property Insights of VU0612587-1
The XLogP value of 1.9245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0612587-1. The TPSA of 146.2 Ų indicates high polarity, suggesting VU0612587-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, VU0612587-1 has 1 hydrogen bond donor(s) and 8 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 VU0612587-1?
The CAS number of VU0612587-1 is 357422-20-9.
What is the molecular formula of VU0612587-1?
The molecular formula of VU0612587-1 is C16H12N4O7.
What is the molecular weight of VU0612587-1?
The molecular weight of VU0612587-1 is 372.07 g/mol.
Where can I buy VU0612587-1?
You can request a quote for VU0612587-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0612587-1?
Yes, KEHONG BIO provides custom synthesis services for VU0612587-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.