Mono(1,2-dimethylpropyl) phthalate
TL;DR: Mono(1,2-dimethylpropyl) phthalate (CAS 198284-10-5) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbutan-2-yloxycarbonyl)benzoic acid
Also Known As: Mono(1,2-dimethylpropyl) phthalate, Phthalic acid 1-(1,2-dimethylpropyl) ester, Phthalsauremethyl-i-Butylester, 2-(3-methylbutan-2-yloxycarbonyl)benzoic Acid, Mono-3-methylbutan-2-yl phthalate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.5861 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 423.18256 |
Chemical Identifiers
| CAS Number | 198284-10-5 |
|---|---|
| SMILES | CC(C)C(C)OC(=O)C1=CC=CC=C1C(=O)O |
Product Overview
Mono(1,2-dimethylpropyl) phthalate (CAS 198284-10-5), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 2-(3-methylbutan-2-yloxycarbonyl)benzoic acid.
Chemical Property Profile of Mono(1,2-dimethylpropyl) phthalate
Property Insights of Mono(1,2-dimethylpropyl) phthalate
The XLogP value of 2.5861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mono(1,2-dimethylpropyl) phthalate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Mono(1,2-dimethylpropyl) phthalate. Following Lipinski's Rule of Five, Mono(1,2-dimethylpropyl) 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-dimethylpropyl) phthalate?
The CAS number of Mono(1,2-dimethylpropyl) phthalate is 198284-10-5.
What is the molecular formula of Mono(1,2-dimethylpropyl) phthalate?
The molecular formula of Mono(1,2-dimethylpropyl) phthalate is C13H16O4.
What is the molecular weight of Mono(1,2-dimethylpropyl) phthalate?
The molecular weight of Mono(1,2-dimethylpropyl) phthalate is 236.10 g/mol.
Where can I buy Mono(1,2-dimethylpropyl) phthalate?
You can request a quote for Mono(1,2-dimethylpropyl) 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-dimethylpropyl) phthalate?
Yes, KEHONG BIO provides custom synthesis services for Mono(1,2-dimethylpropyl) phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.