Di-n-2-propylpentylphthalate
TL;DR: Di-n-2-propylpentylphthalate (CAS 91117-61-2) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-propylpentyl) benzene-1,2-dicarboxylate
Also Known As: Di-n-2-propylpentylphthalate, Di(2-propylpentyl) Phthalate, bis(2-propylpentyl) phthalate, phthalic acid di(2-propylpentyl)ester, bis(2-propylpentyl) benzene-1,2-dicarboxylate
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 91117-61-2 |
|---|---|
| SMILES | CCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CCC |
| InChIKey | KIYUVQCUDDMZRE-UHFFFAOYSA-N |
Product Overview
Di-n-2-propylpentylphthalate (CAS 91117-61-2), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: bis(2-propylpentyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Di-n-2-propylpentylphthalate
Property Insights of Di-n-2-propylpentylphthalate
The XLogP value of 7.4 indicates that Di-n-2-propylpentylphthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Di-n-2-propylpentylphthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-n-2-propylpentylphthalate 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 Di-n-2-propylpentylphthalate?
The CAS number of Di-n-2-propylpentylphthalate is 91117-61-2.
What is the molecular formula of Di-n-2-propylpentylphthalate?
The molecular formula of Di-n-2-propylpentylphthalate is C24H38O4.
What is the molecular weight of Di-n-2-propylpentylphthalate?
The molecular weight of Di-n-2-propylpentylphthalate is 390.28 g/mol.
Where can I buy Di-n-2-propylpentylphthalate?
You can request a quote for Di-n-2-propylpentylphthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-n-2-propylpentylphthalate?
Yes, KEHONG BIO provides custom synthesis services for Di-n-2-propylpentylphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.