Benzoic acid,4-ethenyl-,dodecyl ester
TL;DR: Benzoic acid,4-ethenyl-,dodecyl ester (CAS 127997-05-1) is a chemical compound with molecular formula C15H23NO6 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (4R)-4-[(R)-hydroxy-[(2R)-5-oxo-2H-furan-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Also Known As: Benzoic acid,4-ethenyl-,dodecyl ester, 3-Oxazolidinecarboxylic acid, 4-((2,5-dihydro-5-oxo-2-furanyl)hydroxymethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R-(4R*(R*(R*))))-, tert-butyl (4R)-4-[(R)-hydroxy-[(2R)-5-oxo-2H-furan-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate, tert-Butyl (4R)-4-{(R)-hydroxy[(2R)-5-oxo-2,5-dihydrofuran-2-yl]methyl}-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
| Molecular Formula | C15H23NO6 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.15253 |
| Heavy Atoms | 22 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 127997-05-1 |
|---|---|
| SMILES | CC1(N([C@H](CO1)[C@H]([C@H]2C=CC(=O)O2)O)C(=O)OC(C)(C)C)C |
| InChIKey | XLXUOUVMYCUWGG-CKYFFXLPSA-N |
Product Overview
Benzoic acid,4-ethenyl-,dodecyl ester (CAS 127997-05-1), with molecular formula C15H23NO6 and molecular weight 313.15 g/mol. IUPAC: tert-butyl (4R)-4-[(R)-hydroxy-[(2R)-5-oxo-2H-furan-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
Chemical Property Profile of Benzoic acid,4-ethenyl-,dodecyl ester
Property Insights of Benzoic acid,4-ethenyl-,dodecyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid,4-ethenyl-,dodecyl ester. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid,4-ethenyl-,dodecyl ester. Following Lipinski's Rule of Five, Benzoic acid,4-ethenyl-,dodecyl ester 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 Benzoic acid,4-ethenyl-,dodecyl ester?
The CAS number of Benzoic acid,4-ethenyl-,dodecyl ester is 127997-05-1.
What is the molecular formula of Benzoic acid,4-ethenyl-,dodecyl ester?
The molecular formula of Benzoic acid,4-ethenyl-,dodecyl ester is C15H23NO6.
What is the molecular weight of Benzoic acid,4-ethenyl-,dodecyl ester?
The molecular weight of Benzoic acid,4-ethenyl-,dodecyl ester is 313.15 g/mol.
Where can I buy Benzoic acid,4-ethenyl-,dodecyl ester?
You can request a quote for Benzoic acid,4-ethenyl-,dodecyl 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-ethenyl-,dodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid,4-ethenyl-,dodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.