2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)-
TL;DR: 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)- (CAS 84658-51-5) is a chemical compound with molecular formula C19H22O6 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5,7-dihydroxy-2,2-dimethyl-8-(2-methylbut-3-en-2-yl)-4-oxo-3H-chromen-6-yl]prop-2-enoic acid
Also Known As: 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)-, (E)-3-[5,7-dihydroxy-2,2-dimethyl-8-(2-methylbut-3-en-2-yl)-4-oxo-3H-chromen-6-yl]prop-2-enoic acid, (E)-3-[5,7-dihydroxy-2,2-dimethyl-8-(2-methylbut-3-en-2-yl)-4-oxo-chroman-6-yl]prop-2-enoic Acid
| Molecular Formula | C19H22O6 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 3.403 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.14163 |
| Heavy Atoms | 25 |
| Complexity | 798.86774 |
Chemical Identifiers
| CAS Number | 84658-51-5 |
|---|---|
| SMILES | CC1(CC(=O)C2=C(O1)C(=C(C(=C2O)/C=C/C(=O)O)O)C(C)(C)C=C)C |
Product Overview
2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)- (CAS 84658-51-5), with molecular formula C19H22O6 and molecular weight 346.14 g/mol. IUPAC: (E)-3-[5,7-dihydroxy-2,2-dimethyl-8-(2-methylbut-3-en-2-yl)-4-oxo-3H-chromen-6-yl]prop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)-
Property Insights of 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)-
The XLogP value of 3.403 indicates that 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)- has 3 hydrogen bond donor(s) and 5 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 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)-?
The CAS number of 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)- is 84658-51-5.
What is the molecular formula of 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)-?
The molecular formula of 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)- is C19H22O6.
What is the molecular weight of 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)-?
The molecular weight of 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)- is 346.14 g/mol.
Where can I buy 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)-?
You can request a quote for 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(8-(1,1-dimethyl-2-propenyl)-3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.