3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one
TL;DR: 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one (CAS 116349-98-5) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one
Also Known As: 3-Hydroxy-4,7-dimethyl-1(3H)-isobenzofuranon, 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one, 3-Hydroxy-4,7-dimethyl-3H-isobenzofuran-1-one, 4,7-Dimethyl-3-hydroxyisobenzofuran-1(3H)-one, 3-hydroxy-4,7-dimethyl-1,3-dihydro-2-benzofuran-1-one
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.46474 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 382.0014 |
Chemical Identifiers
| CAS Number | 116349-98-5 |
|---|---|
| SMILES | CC1=C2C(OC(=O)C2=C(C=C1)C)O |
Product Overview
3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one (CAS 116349-98-5), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one
Property Insights of 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one
The XLogP value of 1.46474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one. With a topological polar surface area (TPSA) of 46.53 Ų, 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one 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 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one?
The CAS number of 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one is 116349-98-5.
What is the molecular formula of 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one?
The molecular formula of 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one is C10H10O3.
What is the molecular weight of 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one?
The molecular weight of 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one is 178.06 g/mol.
Where can I buy 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one?
You can request a quote for 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-4,7-dimethyl-3H-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.