3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one
TL;DR: 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one (CAS 1043892-23-4) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)-3-methyl-2H-chromen-4-one
Also Known As: 3-Methyl, 3-hydroxymethylchromanone, 3-(hydroxymethyl)-3-methyl-chroman-4-one, J2.597.858G, 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one, 3-(hydroxymethyl)-3-methyl-2H-chromen-4-one
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 1043892-23-4 |
|---|---|
| SMILES | CC1(COC2=CC=CC=C2C1=O)CO |
| InChIKey | RRKSQWWDODIWDD-UHFFFAOYSA-N |
Product Overview
3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one (CAS 1043892-23-4), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 3-(hydroxymethyl)-3-methyl-2H-chromen-4-one.
Chemical Property Profile of 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one
Property Insights of 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-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-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one?
The CAS number of 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one is 1043892-23-4.
What is the molecular formula of 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one?
The molecular formula of 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one is C11H12O3.
What is the molecular weight of 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one?
The molecular weight of 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one is 192.08 g/mol.
Where can I buy 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one?
You can request a quote for 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hydroxymethyl)-3-methyl-2,3-dihydro-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.