Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol
TL;DR: Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol (CAS 70637-03-5) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-phenyl-4-propyl-, 4-phenyl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane, Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol, 2,6,7-Trioxabicyclo[2.2.2]octane, 1-phenyl-4-propyl-, 1-PHENYL-4-PROPYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 70637-03-5 |
|---|---|
| SMILES | CCCC12COC(OC1)(OC2)C3=CC=CC=C3 |
| InChIKey | PPVVLQQOTAKGFG-UHFFFAOYSA-N |
Product Overview
Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol (CAS 70637-03-5), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 1-phenyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol
Property Insights of Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol. With a topological polar surface area (TPSA) of 27.7 Ų, Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol 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 Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol?
The CAS number of Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol is 70637-03-5.
What is the molecular formula of Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol?
The molecular formula of Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol is C14H18O3.
What is the molecular weight of Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol?
The molecular weight of Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol is 234.13 g/mol.
Where can I buy Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol?
You can request a quote for Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.