1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-
TL;DR: 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl- (CAS 95335-21-0) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-3H-2-benzofuran-1-one
Also Known As: 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-3H-2-benzofuran-1-one, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-2-benzofuran-1(3H)-one, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-3H-isobenzofuran-1-one
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.31132 |
| Topological Polar Surface Area | 64.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 466.45407 |
Chemical Identifiers
| CAS Number | 95335-21-0 |
|---|---|
| SMILES | CC1=CC(=C2C(OC(=O)C2=C1OC)OC)CO |
Product Overview
1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl- (CAS 95335-21-0), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-
Property Insights of 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-
The XLogP value of 1.31132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-. The TPSA of 64.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl- has 1 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 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-?
The CAS number of 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl- is 95335-21-0.
What is the molecular formula of 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-?
The molecular formula of 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl- is C12H14O5.
What is the molecular weight of 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-?
The molecular weight of 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl- is 238.08 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-?
You can request a quote for 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 4-(hydroxymethyl)-3,7-dimethoxy-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.