cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride
TL;DR: cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride (CAS 1694-82-2) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,7aR)-5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: KST-1A3383, Isomethyltetrahydrophthalic anhydride, Maleic anhydride and isoprene adduct, cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride, cis-4-Methyl-1,2-3,6-tetrahydrophthalic Anhydride
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 1694-82-2 |
|---|---|
| SMILES | CC1=CC[C@@H]2[C@H](C1)C(=O)OC2=O |
| InChIKey | OEMSKMUAMXLNKL-RQJHMYQMSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride (CAS 1694-82-2), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: (3aS,7aR)-5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride
Property Insights of cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-1,2,3,6-Tetrahydro-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 cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride?
The CAS number of cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride is 1694-82-2.
What is the molecular formula of cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride?
The molecular formula of cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride is C9H10O3.
What is the molecular weight of cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride?
The molecular weight of cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride is 166.06 g/mol.
Where can I buy cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride?
You can request a quote for cis-1,2,3,6-Tetrahydro-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 cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride?
Yes, KEHONG BIO provides custom synthesis services for cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.