Pachyrrhizone
TL;DR: Pachyrrhizone (CAS 478-09-1) is a chemical compound with molecular formula C20H14O7 and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,13S)-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: Pachyrrhizone, methoxy[?]one, (1S,13S)-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, 8-Methoxy-6,6aalpha-dihydro-1,3-dioxolo[6,7][1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(13aalphaH)-one, (1S,13S)-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
| Molecular Formula | C20H14O7 |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 366.07394 |
| Heavy Atoms | 27 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 478-09-1 |
|---|---|
| SMILES | COC1=C2C(=CC3=C1O[C@@H]4COC5=CC6=C(C=C5[C@@H]4C3=O)OCO6)C=CO2 |
| InChIKey | RZZBXVGBWLOHHV-CVEARBPZSA-N |
Product Overview
Pachyrrhizone (CAS 478-09-1), with molecular formula C20H14O7 and molecular weight 366.07 g/mol. IUPAC: (1S,13S)-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 Pachyrrhizone
Property Insights of Pachyrrhizone
The XLogP value of 3.1 indicates that Pachyrrhizone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pachyrrhizone. Following Lipinski's Rule of Five, Pachyrrhizone has 0 hydrogen bond donor(s) and 7 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 Pachyrrhizone?
The CAS number of Pachyrrhizone is 478-09-1.
What is the molecular formula of Pachyrrhizone?
The molecular formula of Pachyrrhizone is C20H14O7.
What is the molecular weight of Pachyrrhizone?
The molecular weight of Pachyrrhizone is 366.07 g/mol.
Where can I buy Pachyrrhizone?
You can request a quote for Pachyrrhizone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pachyrrhizone?
Yes, KEHONG BIO provides custom synthesis services for Pachyrrhizone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.