3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
TL;DR: 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one (CAS 724437-49-4) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-[(2-propan-2-yloxyphenyl)methyl]-1,3-benzoxazol-2-one
Also Known As: BAS 07089310, 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one, VU0209653-6, AP-845/42282877, 3-(2-isopropoxybenzyl)-5-methylbenzo[d]oxazol-2(3H)-one
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 724437-49-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)N2CC3=CC=CC=C3OC(C)C |
| InChIKey | IBZQQADKAVUBCN-UHFFFAOYSA-N |
Product Overview
3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one (CAS 724437-49-4), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: 5-methyl-3-[(2-propan-2-yloxyphenyl)methyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
Property Insights of 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
The XLogP value of 4.0 indicates that 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-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-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one?
The CAS number of 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one is 724437-49-4.
What is the molecular formula of 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one?
The molecular formula of 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one is C18H19NO3.
What is the molecular weight of 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one?
The molecular weight of 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one is 297.14 g/mol.
Where can I buy 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one?
You can request a quote for 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-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-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.