2-Methylpentane-2,4-diyl dipropanoate
TL;DR: 2-Methylpentane-2,4-diyl dipropanoate (CAS 3738-01-0) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-4-propanoyloxypentan-2-yl) propanoate
Also Known As: 2-methylpentane-2,4-diyl dipropanoate, 2-methyl-2,4-pentanediyl dipropionate, 2-methyl-2,4-bis-propionyloxy-pentane, (4-methyl-4-propanoyloxypentan-2-yl) propanoate
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 3738-01-0 |
|---|---|
| SMILES | CCC(=O)OC(C)CC(C)(C)OC(=O)CC |
| InChIKey | PJHCJPZDUNHLPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylpentane-2,4-diyl dipropanoate (CAS 3738-01-0), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: (4-methyl-4-propanoyloxypentan-2-yl) propanoate.
Chemical Property Profile of 2-Methylpentane-2,4-diyl dipropanoate
Property Insights of 2-Methylpentane-2,4-diyl dipropanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpentane-2,4-diyl dipropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Methylpentane-2,4-diyl dipropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpentane-2,4-diyl 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 2-Methylpentane-2,4-diyl dipropanoate?
The CAS number of 2-Methylpentane-2,4-diyl dipropanoate is 3738-01-0.
What is the molecular formula of 2-Methylpentane-2,4-diyl dipropanoate?
The molecular formula of 2-Methylpentane-2,4-diyl dipropanoate is C12H22O4.
What is the molecular weight of 2-Methylpentane-2,4-diyl dipropanoate?
The molecular weight of 2-Methylpentane-2,4-diyl dipropanoate is 230.15 g/mol.
Where can I buy 2-Methylpentane-2,4-diyl dipropanoate?
You can request a quote for 2-Methylpentane-2,4-diyl dipropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpentane-2,4-diyl dipropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpentane-2,4-diyl dipropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.