![methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/838/838896-86-9.png)
methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 838896-86-9) is a chemical compound with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, METHYL 2-({[(PYRIDIN-4-YL)METHYL]CARBAMOYL}FORMAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-({oxo[(pyridin-4-ylmethyl)amino]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(2-oxo-2-((pyridin-4-ylmethyl)amino)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C17H17N3O4S |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 1.6733 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.09396 |
| Heavy Atoms | 25 |
| Complexity | 816.8005 |
Chemical Identifiers
| CAS Number | 838896-86-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C(=O)NCC3=CC=NC=C3 |
Product Overview
methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 838896-86-9), with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol. IUPAC: methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 1.6733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has 2 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-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 838896-86-9.
What is the molecular formula of methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C17H17N3O4S.
What is the molecular weight of methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 359.09 g/mol.
Where can I buy methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[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-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.