1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one
TL;DR: 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one (CAS 4385-59-5) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1,4-dihydroisochromen-3-one
Also Known As: 1-Methyl-3-isochromanone, 1-methylisochroman-3-one, 1,4-Dihydro-1-methyl-3H-2-benzopyran-3-one, 1-methyl-1,4-dihydroisochromen-3-one, 1-Methyl-1H-2-benzopyran-3(4H)-one
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 4385-59-5 |
|---|---|
| SMILES | CC1C2=CC=CC=C2CC(=O)O1 |
| InChIKey | WKHHBFNFYXCOPO-UHFFFAOYSA-N |
Product Overview
1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one (CAS 4385-59-5), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 1-methyl-1,4-dihydroisochromen-3-one.
Chemical Property Profile of 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one
Property Insights of 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one has 0 hydrogen bond donor(s) and 2 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-Methyl-1,4-dihydro-3H-2-benzopyran-3-one?
The CAS number of 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one is 4385-59-5.
What is the molecular formula of 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one?
The molecular formula of 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one is C10H10O2.
What is the molecular weight of 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one?
The molecular weight of 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one is 162.07 g/mol.
Where can I buy 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one?
You can request a quote for 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.