1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate
TL;DR: 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate (CAS 3711-13-5) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3-propanoyloxypropyl) propanoate
Also Known As: 2,2-Dimethyl-1,3-dipropionoxypropane, neopentyl glycol dipropionate, 2,2-Dimethylpropane-1,3-diyl dipropionate, 1,3-Propanediol, 2,2-dimethyl-, dipropanoate, 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 3711-13-5 |
|---|---|
| SMILES | CCC(=O)OCC(C)(C)COC(=O)CC |
| InChIKey | XVNRPMYATPUZQL-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate (CAS 3711-13-5), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: (2,2-dimethyl-3-propanoyloxypropyl) propanoate.
Chemical Property Profile of 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate
Property Insights of 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate has 0 hydrogen bond donor(s) and 4 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 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate?
The CAS number of 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate is 3711-13-5.
What is the molecular formula of 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate?
The molecular formula of 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate is C11H20O4.
What is the molecular weight of 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate?
The molecular weight of 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate is 216.14 g/mol.
Where can I buy 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate?
You can request a quote for 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.