2-(4-Octyloxyphenyl)butanedioic acid
TL;DR: 2-(4-Octyloxyphenyl)butanedioic acid (CAS 27950-74-9) is a chemical compound with molecular formula C18H26O5 and molecular weight 322.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-octoxyphenyl)butanedioic acid
Also Known As: [4-(octyloxy)phenyl]succinic acid|2-(4-octoxyphenyl)butanedioic acid|2-(4-(octyloxy)phenyl)succinic acid|2-(4-Octyloxy-phenyl)-succinic acid|2-(4-octyloxyphenyl)butanedioic acid|BAS 00404286|2-[4-(octyloxy)phenyl]butanedioic acid
| Molecular Formula | C18H26O5 |
|---|---|
| Molecular Weight | 322.18 g/mol |
| LogP | 4.0688 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 322.178 |
| Heavy Atoms | 23 |
| Complexity | 480.69025 |
Chemical Identifiers
| CAS Number | 27950-74-9 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C(CC(=O)O)C(=O)O |
Product Overview
2-(4-Octyloxyphenyl)butanedioic acid (CAS 27950-74-9), with molecular formula C18H26O5 and molecular weight 322.18 g/mol. IUPAC: 2-(4-octoxyphenyl)butanedioic acid.
Chemical Property Profile of 2-(4-Octyloxyphenyl)butanedioic acid
Property Insights of 2-(4-Octyloxyphenyl)butanedioic acid
The XLogP value of 4.0688 indicates that 2-(4-Octyloxyphenyl)butanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Octyloxyphenyl)butanedioic acid. Following Lipinski's Rule of Five, 2-(4-Octyloxyphenyl)butanedioic acid has 2 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 2-(4-Octyloxyphenyl)butanedioic acid?
The CAS number of 2-(4-Octyloxyphenyl)butanedioic acid is 27950-74-9.
What is the molecular formula of 2-(4-Octyloxyphenyl)butanedioic acid?
The molecular formula of 2-(4-Octyloxyphenyl)butanedioic acid is C18H26O5.
What is the molecular weight of 2-(4-Octyloxyphenyl)butanedioic acid?
The molecular weight of 2-(4-Octyloxyphenyl)butanedioic acid is 322.18 g/mol.
Where can I buy 2-(4-Octyloxyphenyl)butanedioic acid?
You can request a quote for 2-(4-Octyloxyphenyl)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Octyloxyphenyl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Octyloxyphenyl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.