![methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate structure](/static/products/6880/688030-72-0.webp)
methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate
TL;DR: methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate (CAS 688030-72-0) is a chemical compound with molecular formula C23H28N4O4S and molecular weight 456.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]benzoate
Also Known As: methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate, methyl 4-(2-(2-(4-methylpiperazin-1-yl)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamido)benzoate, methyl 4-[[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]benzoate, methyl 4-{[(2-{[(4-methylpiperazin-1-yl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)carbonyl]amino}benzoate
| Molecular Formula | C23H28N4O4S |
|---|---|
| Molecular Weight | 456.18 g/mol |
| LogP | 2.4616 |
| Topological Polar Surface Area | 90.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.18314 |
| Heavy Atoms | 32 |
| Complexity | 1009.7489 |
Chemical Identifiers
| CAS Number | 688030-72-0 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)NC4=CC=C(C=C4)C(=O)OC |
Product Overview
methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate (CAS 688030-72-0), with molecular formula C23H28N4O4S and molecular weight 456.18 g/mol. IUPAC: methyl 4-[[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]benzoate.
Chemical Property Profile of methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate
Property Insights of methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate
The XLogP value of 2.4616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate. The TPSA of 90.98 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate. Following Lipinski's Rule of Five, methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate 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-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate?
The CAS number of methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate is 688030-72-0.
What is the molecular formula of methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate?
The molecular formula of methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate is C23H28N4O4S.
What is the molecular weight of methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate?
The molecular weight of methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate is 456.18 g/mol.
Where can I buy methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate?
You can request a quote for methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate 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-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({2-[2-(4-methylpiperazinyl)acetylamino]-4,5,6-trihydrocyclopenta[1,2 -b]thiophen-3-yl}carbonylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.