3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
TL;DR: 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS 353521-17-2) is a chemical compound with molecular formula C16H14O6 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
Also Known As: chroman-3-yl 3,4,5-trihydroxybenzoate, 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 3,4-Dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate, J1.622.283F, 3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester
| Molecular Formula | C16H14O6 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.07904 |
| Heavy Atoms | 22 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 353521-17-2 |
|---|---|
| SMILES | C1C(COC2=CC=CC=C21)OC(=O)C3=CC(=C(C(=C3)O)O)O |
| InChIKey | DHZFJGMXZNYFJY-UHFFFAOYSA-N |
Product Overview
3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS 353521-17-2), with molecular formula C16H14O6 and molecular weight 302.08 g/mol. IUPAC: 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
Property Insights of 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate. Following Lipinski's Rule of Five, 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate has 3 hydrogen bond donor(s) and 6 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 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate?
The CAS number of 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate is 353521-17-2.
What is the molecular formula of 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate?
The molecular formula of 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate is C16H14O6.
What is the molecular weight of 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate?
The molecular weight of 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate is 302.08 g/mol.
Where can I buy 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate?
You can request a quote for 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.