![3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one structure](/static/products/6381/638142-40-2.webp)
3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one
TL;DR: 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one (CAS 638142-40-2) is a chemical compound with molecular formula C20H23NO3 and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-[[2-(3-methylbutoxy)phenyl]methyl]-1,3-benzoxazol-2-one
Also Known As: 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one, 5-methyl-3-{[2-(3-methylbutoxy)phenyl]methyl}-2,3-dihydro-1,3-benzoxazol-2-one, F1572-0113, 5-methyl-3-[[2-(3-methylbutoxy)phenyl]methyl]-1,3-benzoxazol-2-one, 5-methyl-3-[2-(3-methylbutoxy)benzyl]-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C20H23NO3 |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 4.37612 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.1678 |
| Heavy Atoms | 24 |
| Complexity | 889.2805 |
Chemical Identifiers
| CAS Number | 638142-40-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)N2CC3=CC=CC=C3OCCC(C)C |
Product Overview
3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one (CAS 638142-40-2), with molecular formula C20H23NO3 and molecular weight 325.17 g/mol. IUPAC: 5-methyl-3-[[2-(3-methylbutoxy)phenyl]methyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one
Property Insights of 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one
The XLogP value of 4.37612 indicates that 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one has 0 hydrogen bond donor(s) and 3 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 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one?
The CAS number of 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one is 638142-40-2.
What is the molecular formula of 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one?
The molecular formula of 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one is C20H23NO3.
What is the molecular weight of 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one?
The molecular weight of 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one is 325.17 g/mol.
Where can I buy 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one?
You can request a quote for 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(isopentyloxy)benzyl)-5-methylbenzo[d]oxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.