Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate
TL;DR: Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate (CAS 400751-91-9) is a chemical compound with molecular formula C12H13N3O5 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-3-benzamido-2-nitroprop-2-enoate
Also Known As: ZERO/001514, Ethyl 3-amino-3-(benzoylamino)-2-nitroacrylate, ethyl 3-amino-3-benzamido-2-nitroprop-2-enoate, ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate
| Molecular Formula | C12H13N3O5 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.0855 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 400751-91-9 |
|---|---|
| SMILES | CCOC(=O)C(=C(N)NC(=O)C1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | IAZDSUQEXLMBTA-UHFFFAOYSA-N |
Product Overview
Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate (CAS 400751-91-9), with molecular formula C12H13N3O5 and molecular weight 279.09 g/mol. IUPAC: ethyl 3-amino-3-benzamido-2-nitroprop-2-enoate.
Chemical Property Profile of Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate
Property Insights of Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate has 2 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 Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate?
The CAS number of Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate is 400751-91-9.
What is the molecular formula of Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate?
The molecular formula of Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate is C12H13N3O5.
What is the molecular weight of Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate?
The molecular weight of Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate is 279.09 g/mol.
Where can I buy Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate?
You can request a quote for Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-2-nitro-3-(phenylformamido)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.