Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester
TL;DR: Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester (CAS 105315-50-2) is a chemical compound with molecular formula C22H21NO8 and molecular weight 427.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]-2-oxoacetyl]oxybenzoate
Also Known As: Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester, Methyl 4-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-carbamoyl]formyl]oxybenzoate, Methyl 4-({[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino](oxo)acetyl}oxy)benzoate, methyl 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]-2-oxoacetyl]oxybenzoate, RefChem:327271
| Molecular Formula | C22H21NO8 |
|---|---|
| Molecular Weight | 427.13 g/mol |
| LogP | 2.7495 |
| Topological Polar Surface Area | 108.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.1267 |
| Heavy Atoms | 31 |
| Complexity | 1041.9764 |
Chemical Identifiers
| CAS Number | 105315-50-2 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)C(=O)C(=O)OC3=CC=C(C=C3)C(=O)OC)C |
Product Overview
Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester (CAS 105315-50-2), with molecular formula C22H21NO8 and molecular weight 427.13 g/mol. IUPAC: methyl 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]-2-oxoacetyl]oxybenzoate.
Chemical Property Profile of Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester
Property Insights of Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester
The XLogP value of 2.7495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester. The TPSA of 108.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester has 0 hydrogen bond donor(s) and 8 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 Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester?
The CAS number of Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester is 105315-50-2.
What is the molecular formula of Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester?
The molecular formula of Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester is C22H21NO8.
What is the molecular weight of Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester?
The molecular weight of Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester is 427.13 g/mol.
Where can I buy Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester?
You can request a quote for Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.