Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester
TL;DR: Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester (CAS 568588-35-2) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(5-pentyl-4,5-dihydro-1,2-oxazol-3-yl)benzoate
Also Known As: Benzamide,N-hydroxy-2,4-dimethoxy, methyl 4-(5-pentyl-4,5-dihydro-1,2-oxazol-3-yl)benzoate, Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester, A3483/0147739
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 3.5465 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 479.00027 |
Chemical Identifiers
| CAS Number | 568588-35-2 |
|---|---|
| SMILES | CCCCCC1CC(=NO1)C2=CC=C(C=C2)C(=O)OC |
Product Overview
Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester (CAS 568588-35-2), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: methyl 4-(5-pentyl-4,5-dihydro-1,2-oxazol-3-yl)benzoate.
Chemical Property Profile of Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester
Property Insights of Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester
The XLogP value of 3.5465 indicates that Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.89 Ų, Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester has 0 hydrogen bond donor(s) and 4 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-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester?
The CAS number of Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester is 568588-35-2.
What is the molecular formula of Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester?
The molecular formula of Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester is C16H21NO3.
What is the molecular weight of Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester?
The molecular weight of Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester is 275.15 g/mol.
Where can I buy Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester?
You can request a quote for Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, 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-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(4,5-dihydro-5-pentyl-3-isoxazolyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.