Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol
TL;DR: Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol (CAS 70636-97-4) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-propyl-, Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol, 4-butyl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane, 1-BUTYL-4-PROPYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE, 2,6,7-Trioxabicyclo[2.2.2]octane, 1-butyl-4-propyl-
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.6939 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 190.38345 |
Chemical Identifiers
| CAS Number | 70636-97-4 |
|---|---|
| SMILES | CCCCC12OCC(CO1)(CO2)CCC |
Product Overview
Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol (CAS 70636-97-4), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: 1-butyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol
Property Insights of Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol
The XLogP value of 2.6939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol. With a topological polar surface area (TPSA) of 27.69 Ų, Orthovaleric 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, Orthovaleric 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 Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol?
The CAS number of Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol is 70636-97-4.
What is the molecular formula of Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol?
The molecular formula of Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol is C12H22O3.
What is the molecular weight of Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol?
The molecular weight of Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol is 214.16 g/mol.
Where can I buy Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol?
You can request a quote for Orthovaleric 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 Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for Orthovaleric 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.