Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate
TL;DR: Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate (CAS 880445-72-7) is a chemical compound with molecular formula C19H25NO5 and molecular weight 347.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate
Also Known As: isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate, AS-871/43476971, 2-methylpropyl 5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate, 2-methylpropyl 5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)benzofuran-3-carboxylate, 2-METHYLPROPYL 5-HYDROXY-2-METHYL-4-[(MORPHOLIN-4-YL)METHYL]-1-BENZOFURAN-3-CARBOXYLATE
| Molecular Formula | C19H25NO5 |
|---|---|
| Molecular Weight | 347.17 g/mol |
| LogP | 3.09182 |
| Topological Polar Surface Area | 72.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.17328 |
| Heavy Atoms | 25 |
| Complexity | 758.7505 |
Chemical Identifiers
| CAS Number | 880445-72-7 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2CN3CCOCC3)O)C(=O)OCC(C)C |
Product Overview
Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate (CAS 880445-72-7), with molecular formula C19H25NO5 and molecular weight 347.17 g/mol. IUPAC: 2-methylpropyl 5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate.
Chemical Property Profile of Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate
Property Insights of Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate
The XLogP value of 3.09182 indicates that Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-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 Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate?
The CAS number of Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate is 880445-72-7.
What is the molecular formula of Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate?
The molecular formula of Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate is C19H25NO5.
What is the molecular weight of Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate?
The molecular weight of Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate is 347.17 g/mol.
Where can I buy Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate?
You can request a quote for Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.