5-Isopropyl-4-methylphthalic anhydride
TL;DR: 5-Isopropyl-4-methylphthalic anhydride (CAS 84029-86-7) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-propan-2-yl-2-benzofuran-1,3-dione
Also Known As: 5-Isopropyl-4-methylphthalic anhydride, EINECS 281-757-6, 5-methyl-6-propan-2-yl-2-benzofuran-1,3-dione, 4-ISOPROPYL-5-METHYLPHTHALIC ANHYDRIDE, 5-Methyl-6-(1-methylethyl)-1,3-isobenzofurandione
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.42902 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 458.18018 |
Chemical Identifiers
| CAS Number | 84029-86-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C(C)C)C(=O)OC2=O |
Product Overview
5-Isopropyl-4-methylphthalic anhydride (CAS 84029-86-7), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 5-methyl-6-propan-2-yl-2-benzofuran-1,3-dione.
Chemical Property Profile of 5-Isopropyl-4-methylphthalic anhydride
Property Insights of 5-Isopropyl-4-methylphthalic anhydride
The XLogP value of 2.42902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isopropyl-4-methylphthalic anhydride. With a topological polar surface area (TPSA) of 43.37 Ų, 5-Isopropyl-4-methylphthalic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isopropyl-4-methylphthalic anhydride has 0 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 5-Isopropyl-4-methylphthalic anhydride?
The CAS number of 5-Isopropyl-4-methylphthalic anhydride is 84029-86-7.
What is the molecular formula of 5-Isopropyl-4-methylphthalic anhydride?
The molecular formula of 5-Isopropyl-4-methylphthalic anhydride is C12H12O3.
What is the molecular weight of 5-Isopropyl-4-methylphthalic anhydride?
The molecular weight of 5-Isopropyl-4-methylphthalic anhydride is 204.08 g/mol.
Where can I buy 5-Isopropyl-4-methylphthalic anhydride?
You can request a quote for 5-Isopropyl-4-methylphthalic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isopropyl-4-methylphthalic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 5-Isopropyl-4-methylphthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.