4-Hydroxybutylphthalate
TL;DR: 4-Hydroxybutylphthalate (CAS 1346600-32-5) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-hydroxybutoxycarbonyl)benzoic acid
Also Known As: 4-Hydroxybutylphthalate, starbld0018862, 1,2-Benzenedicarboxylic Acid 1-(4-Hydroxybutyl) Ester, 2-(4-hydroxybutoxycarbonyl)benzoic acid, Mono(4-hydroxybutyl) Phthalate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O5 |
| Molecular Weight | 238.08412 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.08412 Da |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)C(=O)OCCCCO |
| InChIKey | FRGVYBUJIQMSOZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxybutylphthalate
Property Insights of 4-Hydroxybutylphthalate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxybutylphthalate. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxybutylphthalate. Following Lipinski's Rule of Five, 4-Hydroxybutylphthalate 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
What is the CAS number of 4-Hydroxybutylphthalate?
The CAS number of 4-Hydroxybutylphthalate is 1346600-32-5.
What is the molecular formula of 4-Hydroxybutylphthalate?
The molecular formula of 4-Hydroxybutylphthalate is C12H14O5.
What is the molecular weight of 4-Hydroxybutylphthalate?
The molecular weight of 4-Hydroxybutylphthalate is 238.08412 g/mol.
Where can I buy 4-Hydroxybutylphthalate?
You can request a quote for 4-Hydroxybutylphthalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxybutylphthalate?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxybutylphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.