12a-Hydroxypachyrrizone
TL;DR: 12a-Hydroxypachyrrizone (CAS 28768-44-7) is a chemical compound with molecular formula C20H14O8 and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,13R)-1-hydroxy-16-methoxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
Also Known As: 12a-Hydroxypachyrrizone, hydroxy(methoxy)[?]one, (1R,13R)-1-hydroxy-16-methoxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one, (6aR)-6aalpha,13a-Dihydro-13aalpha-hydroxy-8-methoxy-1,3-dioxolo[6,7][1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one, (6aR,13aR)-6a,13a-Dihydro-13a-hydroxy-8-methoxy-1,3-dioxolo[6,7][1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one
| Molecular Formula | C20H14O8 |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 382.06888 |
| Heavy Atoms | 28 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 28768-44-7 |
|---|---|
| SMILES | COC1=C2C(=CC3=C1O[C@@H]4COC5=CC6=C(C=C5[C@@]4(C3=O)O)OCO6)C=CO2 |
| InChIKey | DDGYXSWHWAQNRQ-FOIQADDNSA-N |
Product Overview
12a-Hydroxypachyrrizone (CAS 28768-44-7), with molecular formula C20H14O8 and molecular weight 382.07 g/mol. IUPAC: (1R,13R)-1-hydroxy-16-methoxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one.
Chemical Property Profile of 12a-Hydroxypachyrrizone
Property Insights of 12a-Hydroxypachyrrizone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12a-Hydroxypachyrrizone. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 12a-Hydroxypachyrrizone. Following Lipinski's Rule of Five, 12a-Hydroxypachyrrizone has 1 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 12a-Hydroxypachyrrizone?
The CAS number of 12a-Hydroxypachyrrizone is 28768-44-7.
What is the molecular formula of 12a-Hydroxypachyrrizone?
The molecular formula of 12a-Hydroxypachyrrizone is C20H14O8.
What is the molecular weight of 12a-Hydroxypachyrrizone?
The molecular weight of 12a-Hydroxypachyrrizone is 382.07 g/mol.
Where can I buy 12a-Hydroxypachyrrizone?
You can request a quote for 12a-Hydroxypachyrrizone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12a-Hydroxypachyrrizone?
Yes, KEHONG BIO provides custom synthesis services for 12a-Hydroxypachyrrizone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.