3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one
TL;DR: 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one (CAS 29107-26-4) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(hydroxymethyl)-2H-chromen-4-one
Also Known As: Bionet2_001506, 3,3-bis(hydroxymethyl)-4-chromanone, 3,3-bis(hydroxymethyl)-2H-chromen-4-one, 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one, 3,3-bis(hydroxymethyl)chroman-4-one
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 0.2327 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 381.92923 |
Chemical Identifiers
| CAS Number | 29107-26-4 |
|---|---|
| SMILES | C1C(C(=O)C2=CC=CC=C2O1)(CO)CO |
Product Overview
3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one (CAS 29107-26-4), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 3,3-bis(hydroxymethyl)-2H-chromen-4-one.
Chemical Property Profile of 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one
Property Insights of 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one
The XLogP value of 0.2327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one. Following Lipinski's Rule of Five, 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one has 2 hydrogen bond donor(s) and 4 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 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one?
The CAS number of 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one is 29107-26-4.
What is the molecular formula of 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one?
The molecular formula of 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one is C11H12O4.
What is the molecular weight of 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one?
The molecular weight of 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one is 208.07 g/mol.
Where can I buy 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one?
You can request a quote for 3,3-bis(hydroxymethyl)-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 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.