6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate
TL;DR: 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate (CAS 119-05-1) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,4-dicarboxylate
Also Known As: 6-Methylheptyl 8-methylnonyl phthalate, 6-methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate, 4-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,4-dicarboxylate, o4-(6-methylheptyl) o1-(8-methylnonyl) benzene-1,4-dicarboxylate, 1,2-Benzenedicarboxylicacid, 1-(6-methylheptyl) 2-(8-methylnonyl) ester
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 119-05-1 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCCCC(C)C |
| InChIKey | LWMZLERUOSRYNT-UHFFFAOYSA-N |
Product Overview
6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate (CAS 119-05-1), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: 4-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,4-dicarboxylate.
Chemical Property Profile of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate
Property Insights of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate
The XLogP value of 10.4 indicates that 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate 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 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate?
The CAS number of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate is 119-05-1.
What is the molecular formula of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate?
The molecular formula of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate is C26H42O4.
What is the molecular weight of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate?
The molecular weight of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate is 418.31 g/mol.
Where can I buy 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate?
You can request a quote for 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.