![2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide structure](/static/products/369/369403-69-0.png)
2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
TL;DR: 2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 369403-69-0) is a chemical compound with molecular formula C19H21N3O2S2 and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzoylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Also Known As: 2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-(benzoylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-{[(BENZOYLAMINO)CARBOTHIOYL]AMINO}-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHENE-3-CARBOXAMIDE, 2-{[(phenylcarbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
| Molecular Formula | C19H21N3O2S2 |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 3.6328 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.1075 |
| Heavy Atoms | 26 |
| Complexity | 830.8098 |
Chemical Identifiers
| CAS Number | 369403-69-0 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3)C(=O)N |
Product Overview
2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 369403-69-0), with molecular formula C19H21N3O2S2 and molecular weight 387.11 g/mol. IUPAC: 2-(benzoylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.
Chemical Property Profile of 2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Property Insights of 2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
The XLogP value of 3.6328 indicates that 2-(3-benzoylthioureido)-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 2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide has 3 hydrogen bond donor(s) and 4 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-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The CAS number of 2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 369403-69-0.
What is the molecular formula of 2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular formula of 2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is C19H21N3O2S2.
What is the molecular weight of 2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular weight of 2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 387.11 g/mol.
Where can I buy 2-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
You can request a quote for 2-(3-benzoylthioureido)-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-(3-benzoylthioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-benzoylthioureido)-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.