![methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate structure](/static/products/370/370077-66-0.png)
methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate
TL;DR: methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate (CAS 370077-66-0) is a chemical compound with molecular formula C21H28N4O4S and molecular weight 432.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(3-cyclohexyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)hydrazinyl]-4-oxobutanoate
Also Known As: methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate, methyl 4-[2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)hydrazinyl]-4-oxobutanoate, methyl 4-[2-(3-cyclohexyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)hydrazinyl]-4-oxobutanoate
| Molecular Formula | C21H28N4O4S |
|---|---|
| Molecular Weight | 432.18 g/mol |
| LogP | 3.2383 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.18314 |
| Heavy Atoms | 30 |
| Complexity | 1006.5805 |
Chemical Identifiers
| CAS Number | 370077-66-0 |
|---|---|
| SMILES | COC(=O)CCC(=O)NNC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4CCCCC4 |
Product Overview
methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate (CAS 370077-66-0), with molecular formula C21H28N4O4S and molecular weight 432.18 g/mol. IUPAC: methyl 4-[2-(3-cyclohexyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)hydrazinyl]-4-oxobutanoate.
Chemical Property Profile of methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate
Property Insights of methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate
The XLogP value of 3.2383 indicates that methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.32 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate. Following Lipinski's Rule of Five, methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate has 2 hydrogen bond donor(s) and 7 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 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate?
The CAS number of methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate is 370077-66-0.
What is the molecular formula of methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate?
The molecular formula of methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate is C21H28N4O4S.
What is the molecular weight of methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate?
The molecular weight of methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate is 432.18 g/mol.
Where can I buy methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate?
You can request a quote for methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)hydrazinyl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.