3-(4-Methoxyphenyl)pentanedioic acid
TL;DR: 3-(4-Methoxyphenyl)pentanedioic acid (CAS 33868-91-6) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)pentanedioic acid
Also Known As: 3-(4-methoxyphenyl)pentanedioic acid, Maybridge1_000008, ChemDiv2_002163, benzyloxytri-n-butylstannane, MixCom1_000008
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 33868-91-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(CC(=O)O)CC(=O)O |
| InChIKey | LJLKATTUJLTMDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Methoxyphenyl)pentanedioic acid (CAS 33868-91-6), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: 3-(4-methoxyphenyl)pentanedioic acid.
Chemical Property Profile of 3-(4-Methoxyphenyl)pentanedioic acid
Property Insights of 3-(4-Methoxyphenyl)pentanedioic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxyphenyl)pentanedioic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxyphenyl)pentanedioic acid. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)pentanedioic acid has 2 hydrogen bond donor(s) and 5 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 3-(4-Methoxyphenyl)pentanedioic acid?
The CAS number of 3-(4-Methoxyphenyl)pentanedioic acid is 33868-91-6.
What is the molecular formula of 3-(4-Methoxyphenyl)pentanedioic acid?
The molecular formula of 3-(4-Methoxyphenyl)pentanedioic acid is C12H14O5.
What is the molecular weight of 3-(4-Methoxyphenyl)pentanedioic acid?
The molecular weight of 3-(4-Methoxyphenyl)pentanedioic acid is 238.08 g/mol.
Where can I buy 3-(4-Methoxyphenyl)pentanedioic acid?
You can request a quote for 3-(4-Methoxyphenyl)pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyphenyl)pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.