![methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate structure](/static/products/7082/708219-59-4.webp)
methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
TL;DR: methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate (CAS 708219-59-4) is a chemical compound with molecular formula C23H25N3O4S2 and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-[({[(3-methylbenzo[d]furan-2-yl)carbonylamino]amino}thioxomethyl)amin o]-4,5,6,7,8,9-hexahydrocycloocta[2,1-b]thiophene-3-carboxylate, methyl 2-[({2-[(3-methyl-1-benzofuran-2-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C23H25N3O4S2 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 4.87972 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.12866 |
| Heavy Atoms | 32 |
| Complexity | 1181.5787 |
Chemical Identifiers
| CAS Number | 708219-59-4 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NC3=C(C4=C(S3)CCCCCC4)C(=O)OC |
Product Overview
methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate (CAS 708219-59-4), with molecular formula C23H25N3O4S2 and molecular weight 471.13 g/mol. IUPAC: methyl 2-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Property Insights of methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
The XLogP value of 4.87972 indicates that methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-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 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate has 3 hydrogen bond donor(s) and 6 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 methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is 708219-59-4.
What is the molecular formula of methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is C23H25N3O4S2.
What is the molecular weight of methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is 471.13 g/mol.
Where can I buy methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-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 methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-(3-methylbenzofuran-2-carbonyl)hydrazinecarbothioamido)-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.