2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate
TL;DR: 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate (CAS 70913-84-7) is a chemical compound with molecular formula C24H48O4 and molecular weight 400.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl 16-methylheptadecanoate
Also Known As: Trimethylolpropane diisostearate, Isostearic acid, polytrimethylolpropane ester, C18-H36-O2.x-(C6H14-O3)x-, 2,2-bis(hydroxymethyl)butyl 16-methylheptadecanoate, 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, homopolymer, isooctadecanoate
| Molecular Formula | C24H48O4 |
|---|---|
| Molecular Weight | 400.36 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 400.35526 |
| Heavy Atoms | 28 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 70913-84-7 |
|---|---|
| SMILES | CCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC(C)C |
| InChIKey | GHJJFOYNDRLLFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate (CAS 70913-84-7), with molecular formula C24H48O4 and molecular weight 400.36 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl 16-methylheptadecanoate.
Chemical Property Profile of 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate
Property Insights of 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate
The XLogP value of 7.9 indicates that 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate. Following Lipinski's Rule of Five, 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate?
The CAS number of 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate is 70913-84-7.
What is the molecular formula of 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate?
The molecular formula of 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate is C24H48O4.
What is the molecular weight of 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate?
The molecular weight of 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate is 400.36 g/mol.
Where can I buy 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate?
You can request a quote for 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.