Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate
TL;DR: Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate (CAS 302803-00-5) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ChemDiv3_001080, IDI1_020046, BAS 01292310, BRD-K90282710-001-01-9, methyl 2-(2-methylpropanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.6179 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 490.67096 |
Chemical Identifiers
| CAS Number | 302803-00-5 |
|---|---|
| SMILES | CC(C)C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OC |
Product Overview
Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate (CAS 302803-00-5), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: methyl 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate
Property Insights of Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate
The XLogP value of 2.6179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate?
The CAS number of Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate is 302803-00-5.
What is the molecular formula of Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate?
The molecular formula of Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate is C13H17NO3S.
What is the molecular weight of Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate?
The molecular weight of Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate is 267.09 g/mol.
Where can I buy Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate?
You can request a quote for Methyl 2-(isobutyrylamino)-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-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta(B)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.