(+)-Mono-(1,2,2-trimethylpropyl) phthalate
TL;DR: (+)-Mono-(1,2,2-trimethylpropyl) phthalate (CAS 84489-36-1) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethylbutan-2-yloxycarbonyl)benzoic acid
Also Known As: (+)-MONO-(1,2,2-TRIMETHYLPROPYL) PHTHALATE, 2-(3,3-dimethylbutan-2-yloxycarbonyl)benzoic Acid, 2-{[(3,3-dimethylbutan-2-yl)oxy]carbonyl}benzoic acid, 667-836-1, RefChem:390604
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.9762 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 457.10696 |
Chemical Identifiers
| CAS Number | 84489-36-1 |
|---|---|
| SMILES | CC(C(C)(C)C)OC(=O)C1=CC=CC=C1C(=O)O |
Product Overview
(+)-Mono-(1,2,2-trimethylpropyl) phthalate (CAS 84489-36-1), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 2-(3,3-dimethylbutan-2-yloxycarbonyl)benzoic acid.
Chemical Property Profile of (+)-Mono-(1,2,2-trimethylpropyl) phthalate
Property Insights of (+)-Mono-(1,2,2-trimethylpropyl) phthalate
The XLogP value of 2.9762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Mono-(1,2,2-trimethylpropyl) phthalate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Mono-(1,2,2-trimethylpropyl) phthalate. Following Lipinski's Rule of Five, (+)-Mono-(1,2,2-trimethylpropyl) 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-(1,2,2-trimethylpropyl) phthalate?
The CAS number of (+)-Mono-(1,2,2-trimethylpropyl) phthalate is 84489-36-1.
What is the molecular formula of (+)-Mono-(1,2,2-trimethylpropyl) phthalate?
The molecular formula of (+)-Mono-(1,2,2-trimethylpropyl) phthalate is C14H18O4.
What is the molecular weight of (+)-Mono-(1,2,2-trimethylpropyl) phthalate?
The molecular weight of (+)-Mono-(1,2,2-trimethylpropyl) phthalate is 250.12 g/mol.
Where can I buy (+)-Mono-(1,2,2-trimethylpropyl) phthalate?
You can request a quote for (+)-Mono-(1,2,2-trimethylpropyl) phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Mono-(1,2,2-trimethylpropyl) phthalate?
Yes, KEHONG BIO provides custom synthesis services for (+)-Mono-(1,2,2-trimethylpropyl) phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.