![(E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide structure](/static/products/370/370573-88-9.png)
(E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
TL;DR: (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 370573-88-9) is a chemical compound with molecular formula C19H21N3O2S3 and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Also Known As: (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
| Molecular Formula | C19H21N3O2S3 |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 4.0939 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.0796 |
| Heavy Atoms | 27 |
| Complexity | 869.147 |
Chemical Identifiers
| CAS Number | 370573-88-9 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C(=C(S2)NC(=S)NC(=O)/C=C/C3=CC=CS3)C(=O)N |
Product Overview
(E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 370573-88-9), with molecular formula C19H21N3O2S3 and molecular weight 419.08 g/mol. IUPAC: 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.
Chemical Property Profile of (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Property Insights of (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
The XLogP value of 4.0939 indicates that (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-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 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide has 3 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 (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The CAS number of (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 370573-88-9.
What is the molecular formula of (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular formula of (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is C19H21N3O2S3.
What is the molecular weight of (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular weight of (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 419.08 g/mol.
Where can I buy (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
You can request a quote for (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-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 (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-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.