J2.814.613B
TL;DR: J2.814.613B (CAS 71634-80-5) is a chemical compound with molecular formula C19H18O9 and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-4-oxobutanoic acid
Also Known As: J2.814.613B, Butanedioic acid, mono(2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl) ester, (2R-trans)-, 4-[(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-4-oxo-butanoic Acid, 3beta-(3-Carboxypropionyloxy)-2alpha-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-5,7-diol, 4-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-4-oxobutanoic acid
| Molecular Formula | C19H18O9 |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.0951 |
| Heavy Atoms | 28 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 71634-80-5 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)CCC(=O)O |
| InChIKey | KCAWAYGUDVXSSN-QFBILLFUSA-N |
Product Overview
J2.814.613B (CAS 71634-80-5), with molecular formula C19H18O9 and molecular weight 390.10 g/mol. IUPAC: 4-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of J2.814.613B
Property Insights of J2.814.613B
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2.814.613B. The TPSA of 154.0 Ų indicates high polarity, suggesting J2.814.613B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J2.814.613B has 5 hydrogen bond donor(s) and 9 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 J2.814.613B?
The CAS number of J2.814.613B is 71634-80-5.
What is the molecular formula of J2.814.613B?
The molecular formula of J2.814.613B is C19H18O9.
What is the molecular weight of J2.814.613B?
The molecular weight of J2.814.613B is 390.10 g/mol.
Where can I buy J2.814.613B?
You can request a quote for J2.814.613B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.814.613B?
Yes, KEHONG BIO provides custom synthesis services for J2.814.613B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.