Populin
TL;DR: Populin (CAS 99-17-2) is a chemical compound with molecular formula C20H22O8 and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
Also Known As: Populin, populoside, Populine, 6-Benzoylsalicin, Salicin, 6'-benzoate
| Molecular Formula | C20H22O8 |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.13147 |
| Heavy Atoms | 28 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 99-17-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=CC=C3CO)O)O)O |
| InChIKey | HHSKNLJWHGXWPK-BFMVXSJESA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Populin (CAS 99-17-2), with molecular formula C20H22O8 and molecular weight 390.13 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate.
Chemical Property Profile of Populin
Property Insights of Populin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Populin. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Populin. Following Lipinski's Rule of Five, Populin has 4 hydrogen bond donor(s) and 8 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 Populin?
The CAS number of Populin is 99-17-2.
What is the molecular formula of Populin?
The molecular formula of Populin is C20H22O8.
What is the molecular weight of Populin?
The molecular weight of Populin is 390.13 g/mol.
Where can I buy Populin?
You can request a quote for Populin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Populin?
Yes, KEHONG BIO provides custom synthesis services for Populin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.