![methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate structure](/static/products/6278/627844-00-2.webp)
methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate
TL;DR: methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate (CAS 627844-00-2) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbonyl)amino]benzoate
Also Known As: methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate, methyl 2-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxamido)benzoate, methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbonyl)amino]benzoate, methyl 2-{[(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 3.78202 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 906.92053 |
Chemical Identifiers
| CAS Number | 627844-00-2 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate (CAS 627844-00-2), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate
Property Insights of methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate
The XLogP value of 3.78202 indicates that methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate. Following Lipinski's Rule of Five, methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate 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-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate?
The CAS number of methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate is 627844-00-2.
What is the molecular formula of methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate?
The molecular formula of methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate is C20H21NO5.
What is the molecular weight of methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate?
The molecular weight of methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate is 355.14 g/mol.
Where can I buy methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate?
You can request a quote for methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(3,6,6-trimethyl-4-oxo-5,6,7-trihydrobenzo[2,1-d]furan-2-yl)carbonyl amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.