![ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate structure](/static/products/7019/701933-68-8.webp)
ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate (CAS 701933-68-8) is a chemical compound with molecular formula C24H31N3O5S3 and molecular weight 537.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, ethyl 2-(3-(3-(morpholinosulfonyl)phenyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, ethyl 2-[({[3-(morpholin-4-ylsulfonyl)phenyl]amino}thioxomethyl)amino]-4,5,6,7 ,8,9-hexahydrocycloocta[2,1-b]thiophene-3-carboxylate, ethyl 2-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C24H31N3O5S3 |
|---|---|
| Molecular Weight | 537.14 g/mol |
| LogP | 4.4136 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 537.1426 |
| Heavy Atoms | 35 |
| Complexity | 1173.0625 |
Chemical Identifiers
| CAS Number | 701933-68-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4 |
Product Overview
ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate (CAS 701933-68-8), with molecular formula C24H31N3O5S3 and molecular weight 537.14 g/mol. IUPAC: ethyl 2-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
The XLogP value of 4.4136 indicates that ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is 701933-68-8.
What is the molecular formula of ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is C24H31N3O5S3.
What is the molecular weight of ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is 537.14 g/mol.
Where can I buy ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[3-(morpholin-4-ylsulfonyl)phenyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.