benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate
TL;DR: benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate (CAS 304871-93-0) is a chemical compound with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (Z)-3-(benzylamino)-2-nitroprop-2-enoate
Also Known As: (Z)-benzyl 3-(benzylamino)-2-nitroacrylate, Benzyl 3-(benzylamino)-2-nitro-prop-2-enoate, benzyl (Z)-3-(benzylamino)-2-nitroprop-2-enoate, benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate
| Molecular Formula | C17H16N2O4 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 2.6377 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.111 |
| Heavy Atoms | 23 |
| Complexity | 684.2543 |
Chemical Identifiers
| CAS Number | 304871-93-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN/C=C(/C(=O)OCC2=CC=CC=C2)\[N+](=O)[O-] |
Product Overview
benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate (CAS 304871-93-0), with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol. IUPAC: benzyl (Z)-3-(benzylamino)-2-nitroprop-2-enoate.
Chemical Property Profile of benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate
Property Insights of benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate
The XLogP value of 2.6377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate. Following Lipinski's Rule of Five, benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate has 1 hydrogen bond donor(s) and 5 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 benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate?
The CAS number of benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate is 304871-93-0.
What is the molecular formula of benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate?
The molecular formula of benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate is C17H16N2O4.
What is the molecular weight of benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate?
The molecular weight of benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate is 312.11 g/mol.
Where can I buy benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate?
You can request a quote for benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.