![(E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide structure](/static/products/4288/428856-06-8.webp)
(E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide
TL;DR: (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide (CAS 428856-06-8) is a chemical compound with molecular formula C23H16N4O5S and molecular weight 460.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Also Known As: (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide, (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide, (E)-N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide, (E)-N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
| Molecular Formula | C23H16N4O5S |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 4.635 |
| Topological Polar Surface Area | 130.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.08414 |
| Heavy Atoms | 33 |
| Complexity | 1380.0114 |
Chemical Identifiers
| CAS Number | 428856-06-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=C(C=C(C=C3)NC(=S)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-])O |
Product Overview
(E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide (CAS 428856-06-8), with molecular formula C23H16N4O5S and molecular weight 460.08 g/mol. IUPAC: (E)-N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide
Property Insights of (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide
The XLogP value of 4.635 indicates that (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide. Following Lipinski's Rule of Five, (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide has 3 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 (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide?
The CAS number of (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide is 428856-06-8.
What is the molecular formula of (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide?
The molecular formula of (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide is C23H16N4O5S.
What is the molecular weight of (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide?
The molecular weight of (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide is 460.08 g/mol.
Where can I buy (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide?
You can request a quote for (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(3-nitrophenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.