Mono-2-heptyl phthalate
TL;DR: Mono-2-heptyl phthalate (CAS 129171-03-5) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptan-2-yloxycarbonylbenzoic acid
Also Known As: Mono(2-Heptyl) Phthalate, mono-2-heptyl phthalate, 2-heptan-2-yloxycarbonylbenzoic Acid, Mono(2-Heptyl)Phthalate, phthalic acid mono-2-heptyl ester
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 3.5104 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 439.52664 |
Chemical Identifiers
| CAS Number | 129171-03-5 |
|---|---|
| SMILES | CCCCCC(C)OC(=O)C1=CC=CC=C1C(=O)O |
Product Overview
Mono-2-heptyl phthalate (CAS 129171-03-5), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 2-heptan-2-yloxycarbonylbenzoic acid.
Chemical Property Profile of Mono-2-heptyl phthalate
Property Insights of Mono-2-heptyl phthalate
The XLogP value of 3.5104 indicates that Mono-2-heptyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Mono-2-heptyl phthalate. Following Lipinski's Rule of Five, Mono-2-heptyl phthalate has 1 hydrogen bond donor(s) and 3 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 Mono-2-heptyl phthalate?
The CAS number of Mono-2-heptyl phthalate is 129171-03-5.
What is the molecular formula of Mono-2-heptyl phthalate?
The molecular formula of Mono-2-heptyl phthalate is C15H20O4.
What is the molecular weight of Mono-2-heptyl phthalate?
The molecular weight of Mono-2-heptyl phthalate is 264.14 g/mol.
Where can I buy Mono-2-heptyl phthalate?
You can request a quote for Mono-2-heptyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono-2-heptyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Mono-2-heptyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.