US20240336588, Compound 28
TL;DR: US20240336588, Compound 28 (CAS 71634-86-1) is a chemical compound with molecular formula C22H18O9 and molecular weight 426.10 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] 3,4-dihydroxybenzoate
Also Known As: US20240336588, Compound 28, Benzoic acid, 3,4-dihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-trans)-, (2R,3S)-2-(3,4-dihydroxyphenyl)- 5,7-dihydroxychroman-3-yl 3,4- dihydroxybenzoate, (2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4-dihydroxybenzoate, [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4-dihydroxybenzoate
| Molecular Formula | C22H18O9 |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.0951 |
| Heavy Atoms | 31 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 71634-86-1 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C=C4)O)O |
| InChIKey | GMBHQPZHYSOAKX-LEWJYISDSA-N |
Product Overview
US20240336588, Compound 28 (CAS 71634-86-1), with molecular formula C22H18O9 and molecular weight 426.10 g/mol. IUPAC: [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxybenzoate.
Chemical Property Profile of US20240336588, Compound 28
Property Insights of US20240336588, Compound 28
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for US20240336588, Compound 28. The TPSA of 157.0 Ų indicates high polarity, suggesting US20240336588, Compound 28 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, US20240336588, Compound 28 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of US20240336588, Compound 28?
The CAS number of US20240336588, Compound 28 is 71634-86-1.
What is the molecular formula of US20240336588, Compound 28?
The molecular formula of US20240336588, Compound 28 is C22H18O9.
What is the molecular weight of US20240336588, Compound 28?
The molecular weight of US20240336588, Compound 28 is 426.10 g/mol.
Where can I buy US20240336588, Compound 28?
You can request a quote for US20240336588, Compound 28 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for US20240336588, Compound 28?
Yes, KEHONG BIO provides custom synthesis services for US20240336588, Compound 28 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.