O-T-Boc-Vanillin
TL;DR: O-T-Boc-Vanillin (CAS 145361-91-7) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (4-formyl-2-methoxyphenyl) carbonate
Also Known As: tert-butyl 4-formyl-2-methoxyphenyl carbonate, O-T-Boc-Vanillin, tert-butyl (4-formyl-2-methoxyphenyl) carbonate, tert-butyl4-formyl-2-methoxyphenylcarbonate, Carbonic acid, 1,1-dimethylethyl 4-formyl-2-methoxyphenyl ester
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 145361-91-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)OC1=C(C=C(C=C1)C=O)OC |
| InChIKey | QHWDRZQSXVKLON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-T-Boc-Vanillin (CAS 145361-91-7), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: tert-butyl (4-formyl-2-methoxyphenyl) carbonate.
Chemical Property Profile of O-T-Boc-Vanillin
Property Insights of O-T-Boc-Vanillin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-T-Boc-Vanillin. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for O-T-Boc-Vanillin. Following Lipinski's Rule of Five, O-T-Boc-Vanillin has 0 hydrogen bond donor(s) and 5 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 O-T-Boc-Vanillin?
The CAS number of O-T-Boc-Vanillin is 145361-91-7.
What is the molecular formula of O-T-Boc-Vanillin?
The molecular formula of O-T-Boc-Vanillin is C13H16O5.
What is the molecular weight of O-T-Boc-Vanillin?
The molecular weight of O-T-Boc-Vanillin is 252.10 g/mol.
Where can I buy O-T-Boc-Vanillin?
You can request a quote for O-T-Boc-Vanillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-T-Boc-Vanillin?
Yes, KEHONG BIO provides custom synthesis services for O-T-Boc-Vanillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.