Pinnatifinoside B
TL;DR: Pinnatifinoside B (CAS 366472-75-5) is a chemical compound with molecular formula C23H20O10 and molecular weight 456.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2'R,3'S,4'S,8R)-3',4',5-trihydroxy-2-(4-hydroxyphenyl)-4-oxospiro[9H-furo[2,3-h]chromene-8,5'-oxolane]-2'-yl]methyl acetate
Also Known As: Pinnatifinoside B, J1.619.730K, [(2'R,3'S,4'S,8R)-3',4',5-trihydroxy-2-(4-hydroxyphenyl)-4-oxospiro[9H-furo[2,3-h]chromene-8,5'-oxolane]-2'-yl]methyl acetate, [(2R,3S,4S,5R)-3,4,5'-trihydroxy-2'-(4-hydroxyphenyl)-4'-oxo-4,5-dihydro-3H,4'H,9'H-spiro[furan-2,8'-furo[2,3-h]chromen]-5-yl]methyl rel-acetate, spiro[furan-2(3H),8'(9'H)-[4H]furo[2,3-h][1]benzopyran]-4'-one, 5-[(acetyloxy)methyl]-4,5-dihydro-3,4,5'-trihydroxy-2'-(4-hydroxyphenyl)-, (2R,3S,4S,5R)-
| Molecular Formula | C23H20O10 |
|---|---|
| Molecular Weight | 456.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.10565 |
| Heavy Atoms | 33 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 366472-75-5 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@]2(O1)CC3=C(O2)C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O |
| InChIKey | JPQIZNMBTLLOPM-SQMBMXPBSA-N |
Product Overview
Pinnatifinoside B (CAS 366472-75-5), with molecular formula C23H20O10 and molecular weight 456.11 g/mol. IUPAC: [(2'R,3'S,4'S,8R)-3',4',5-trihydroxy-2-(4-hydroxyphenyl)-4-oxospiro[9H-furo[2,3-h]chromene-8,5'-oxolane]-2'-yl]methyl acetate.
Chemical Property Profile of Pinnatifinoside B
Property Insights of Pinnatifinoside B
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinnatifinoside B. The TPSA of 152.0 Ų indicates high polarity, suggesting Pinnatifinoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pinnatifinoside B has 4 hydrogen bond donor(s) and 10 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 Pinnatifinoside B?
The CAS number of Pinnatifinoside B is 366472-75-5.
What is the molecular formula of Pinnatifinoside B?
The molecular formula of Pinnatifinoside B is C23H20O10.
What is the molecular weight of Pinnatifinoside B?
The molecular weight of Pinnatifinoside B is 456.11 g/mol.
Where can I buy Pinnatifinoside B?
You can request a quote for Pinnatifinoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinnatifinoside B?
Yes, KEHONG BIO provides custom synthesis services for Pinnatifinoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.