2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-
TL;DR: 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)- (CAS 71634-84-9) is a chemical compound with molecular formula C22H18O7 and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] benzoate
Also Known As: 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-, [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] benzoate
| Molecular Formula | C22H18O7 |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.10526 |
| Heavy Atoms | 29 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 71634-84-9 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC=CC=C4 |
| InChIKey | KYOUXLCBBPBCLD-LEWJYISDSA-N |
Product Overview
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)- (CAS 71634-84-9), with molecular formula C22H18O7 and molecular weight 394.11 g/mol. IUPAC: [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] benzoate.
Chemical Property Profile of 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-
Property Insights of 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)- has 4 hydrogen bond donor(s) and 7 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 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-?
The CAS number of 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)- is 71634-84-9.
What is the molecular formula of 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-?
The molecular formula of 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)- is C22H18O7.
What is the molecular weight of 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-?
The molecular weight of 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)- is 394.11 g/mol.
Where can I buy 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-?
You can request a quote for 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.