![methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/4450/445022-21-9.webp)
methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 445022-21-9) is a chemical compound with molecular formula C22H25NO4S and molecular weight 399.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-(2-((2,3-dihydro-1H-inden-5-yl)oxy)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, METHYL 2-{[2-(2,3-DIHYDRO-1H-INDEN-5-YLOXY)ACETYL]AMINO}-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C22H25NO4S |
|---|---|
| Molecular Weight | 399.15 g/mol |
| LogP | 4.3098 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.15042 |
| Heavy Atoms | 28 |
| Complexity | 902.182 |
Chemical Identifiers
| CAS Number | 445022-21-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC3=CC4=C(CCC4)C=C3 |
Product Overview
methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 445022-21-9), with molecular formula C22H25NO4S and molecular weight 399.15 g/mol. IUPAC: methyl 2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 4.3098 indicates that methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 445022-21-9.
What is the molecular formula of methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C22H25NO4S.
What is the molecular weight of methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 399.15 g/mol.
Where can I buy methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[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-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.