![2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide structure](/static/products/3393/339361-66-9.webp)
2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
TL;DR: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 339361-66-9) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Also Known As: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-[(3-{3-nitrophenyl}acryloyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-[(2E)-3-(3-nitrophenyl)prop-2-enoylamino]-4,5,6,7,8,9-hexahydrocycloocta[2,1 -b]thiophene-3-carboxamide, 2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 4.0661 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 948.9226 |
Chemical Identifiers
| CAS Number | 339361-66-9 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C(=C(S2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N |
Product Overview
2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 339361-66-9), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.
Chemical Property Profile of 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Property Insights of 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
The XLogP value of 4.0661 indicates that 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide has 2 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 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The CAS number of 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 339361-66-9.
What is the molecular formula of 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular formula of 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is C20H21N3O4S.
What is the molecular weight of 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular weight of 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 399.13 g/mol.
Where can I buy 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
You can request a quote for 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.