Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-
TL;DR: Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)- (CAS 35818-31-6) is a chemical compound with molecular formula C16H20O5 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dihydroxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-one
Also Known As: Asperentin, Cladosporin, Cladosporin; Asperentin, 6,8-dihydroxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-one, Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-
| Molecular Formula | C16H20O5 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.13107 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 35818-31-6 |
|---|---|
| SMILES | CC1CCCC(O1)CC2CC3=C(C(=CC(=C3)O)O)C(=O)O2 |
| InChIKey | WOMKDMUZNBFXKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)- (CAS 35818-31-6), with molecular formula C16H20O5 and molecular weight 292.13 g/mol. IUPAC: 6,8-dihydroxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-one.
Chemical Property Profile of Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-
Property Insights of Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-
The XLogP value of 3.3 indicates that Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-. Following Lipinski's Rule of Five, Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)- 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
Frequently Asked Questions
What is the CAS number of Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-?
The CAS number of Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)- is 35818-31-6.
What is the molecular formula of Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-?
The molecular formula of Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)- is C16H20O5.
What is the molecular weight of Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-?
The molecular weight of Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)- is 292.13 g/mol.
Where can I buy Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-?
You can request a quote for Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.