Einecs 236-445-4
TL;DR: Einecs 236-445-4 (CAS 13372-18-4) is a chemical compound with molecular formula C40H70O4 and molecular weight 614.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dihexadecyl benzene-1,3-dicarboxylate
Also Known As: Dihexadecyl phthalate, dihexadecyl benzene-1,3-dicarboxylate, EINECS 236-445-4
| Molecular Formula | C40H70O4 |
|---|---|
| Molecular Weight | 614.53 g/mol |
| LogP | 17.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 34 |
| Exact Mass | 614.5274 |
| Heavy Atoms | 44 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 13372-18-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCCCCCCCCCC |
| InChIKey | XEAKCNSPSBIFFX-UHFFFAOYSA-N |
Product Overview
Einecs 236-445-4 (CAS 13372-18-4), with molecular formula C40H70O4 and molecular weight 614.53 g/mol. IUPAC: dihexadecyl benzene-1,3-dicarboxylate.
Chemical Property Profile of Einecs 236-445-4
Property Insights of Einecs 236-445-4
The XLogP value of 17.1 indicates that Einecs 236-445-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Einecs 236-445-4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 236-445-4 has 0 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 Einecs 236-445-4?
The CAS number of Einecs 236-445-4 is 13372-18-4.
What is the molecular formula of Einecs 236-445-4?
The molecular formula of Einecs 236-445-4 is C40H70O4.
What is the molecular weight of Einecs 236-445-4?
The molecular weight of Einecs 236-445-4 is 614.53 g/mol.
Where can I buy Einecs 236-445-4?
You can request a quote for Einecs 236-445-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 236-445-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 236-445-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.