![methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4924/492456-36-7.webp)
methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 492456-36-7) is a chemical compound with molecular formula C30H32N4O5S and molecular weight 560.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-({[1-(1-ADAMANTYL)-4-NITRO-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-6-PHENYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-({[4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carboxamido)-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C30H32N4O5S |
|---|---|
| Molecular Weight | 560.21 g/mol |
| LogP | 6.0895 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 560.20935 |
| Heavy Atoms | 40 |
| Complexity | 1474.2208 |
Chemical Identifiers
| CAS Number | 492456-36-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=NN(C=C4[N+](=O)[O-])C56CC7CC(C5)CC(C7)C6 |
Product Overview
methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 492456-36-7), with molecular formula C30H32N4O5S and molecular weight 560.21 g/mol. IUPAC: methyl 2-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 6.0895 indicates that methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 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 methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 492456-36-7.
What is the molecular formula of methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C30H32N4O5S.
What is the molecular weight of methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 560.21 g/mol.
Where can I buy methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-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-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.