![methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/874/874464-63-8.png)
methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 874464-63-8) is a chemical compound with molecular formula C19H19NO5S and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[(3-methyl-2H,3H-benzo[e]1,4-dioxan-2-yl)carbonylamino]-4,5,6-trihydr ocyclopenta[2,1-b]thiophene-3-carboxylate, methyl 2-{[(3-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C19H19NO5S |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 3.1904 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.0984 |
| Heavy Atoms | 26 |
| Complexity | 874.8096 |
Chemical Identifiers
| CAS Number | 874464-63-8 |
|---|---|
| SMILES | CC1C(OC2=CC=CC=C2O1)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC |
Product Overview
methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 874464-63-8), with molecular formula C19H19NO5S and molecular weight 373.10 g/mol. IUPAC: methyl 2-[(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 3.1904 indicates that methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has 1 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-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 874464-63-8.
What is the molecular formula of methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C19H19NO5S.
What is the molecular weight of methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 373.10 g/mol.
Where can I buy methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-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-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.