(E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate
TL;DR: (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate (CAS 300705-09-3) is a chemical compound with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl acetate
Also Known As: (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate, 3-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl acetate, 3-({(2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)propyl acetate, 3-[(2E)-3-(3-NITROPHENYL)-2-(PHENYLFORMAMIDO)PROP-2-ENAMIDO]PROPYL ACETATE
| Molecular Formula | C21H21N3O6 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 2.4351 |
| Topological Polar Surface Area | 127.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.14304 |
| Heavy Atoms | 30 |
| Complexity | 956.2239 |
Chemical Identifiers
| CAS Number | 300705-09-3 |
|---|---|
| SMILES | CC(=O)OCCCNC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2 |
Product Overview
(E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate (CAS 300705-09-3), with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol. IUPAC: 3-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl acetate.
Chemical Property Profile of (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate
Property Insights of (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate
The XLogP value of 2.4351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate. The TPSA of 127.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate. Following Lipinski's Rule of Five, (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate 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 (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate?
The CAS number of (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate is 300705-09-3.
What is the molecular formula of (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate?
The molecular formula of (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate is C21H21N3O6.
What is the molecular weight of (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate?
The molecular weight of (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate is 411.14 g/mol.
Where can I buy (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate?
You can request a quote for (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-benzamido-3-(3-nitrophenyl)acrylamido)propyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.