2-Tetrahydropyranylbenzoate
TL;DR: 2-Tetrahydropyranylbenzoate (CAS 70363-80-3) is a chemical compound with molecular formula C12H13O3- and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(oxan-2-yl)benzoate
Also Known As: 2-Tetrahydropyranylbenzoate, 2-(oxan-2-yl)benzoate, 2H-Pyran-2-ol, tetrahydro-, benzoate, RefChem:89435
| Molecular Formula | C12H13O3- |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.08647 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 70363-80-3 |
|---|---|
| SMILES | C1CCOC(C1)C2=CC=CC=C2C(=O)[O-] |
| InChIKey | RFVBVGNJLQQZAW-UHFFFAOYSA-M |
Product Overview
2-Tetrahydropyranylbenzoate (CAS 70363-80-3), with molecular formula C12H13O3- and molecular weight 205.09 g/mol. IUPAC: 2-(oxan-2-yl)benzoate.
Chemical Property Profile of 2-Tetrahydropyranylbenzoate
Property Insights of 2-Tetrahydropyranylbenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tetrahydropyranylbenzoate. With a topological polar surface area (TPSA) of 49.4 Ų, 2-Tetrahydropyranylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tetrahydropyranylbenzoate 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 2-Tetrahydropyranylbenzoate?
The CAS number of 2-Tetrahydropyranylbenzoate is 70363-80-3.
What is the molecular formula of 2-Tetrahydropyranylbenzoate?
The molecular formula of 2-Tetrahydropyranylbenzoate is C12H13O3-.
What is the molecular weight of 2-Tetrahydropyranylbenzoate?
The molecular weight of 2-Tetrahydropyranylbenzoate is 205.09 g/mol.
Where can I buy 2-Tetrahydropyranylbenzoate?
You can request a quote for 2-Tetrahydropyranylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tetrahydropyranylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Tetrahydropyranylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.