Fagopyrine
TL;DR: Fagopyrine (CAS 72393-03-4) is a chemical compound with molecular formula C40H34N2O8 and molecular weight 670.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,11,13,16,18,20-hexahydroxy-5,24-dimethyl-12,17-di(piperidin-2-yl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3(8),4(25),5,9,11,13,15,17,19,21(26),23-tridecaene-7,22-dione
Also Known As: Fagopyrine, 3-Carbomethoxy-rifamycin S, 1,3,4,6,8,13-Hexahydroxy-10,11-dimethyl-2,5-di(piperidin-2-yl)phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-2,5-di-piperidin-2-yl-phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 9,11,13,16,18,20-hexahydroxy-5,24-dimethyl-12,17-di(piperidin-2-yl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3(8),4(25),5,9,11,13,15,17,19,21(26),23-tridecaene-7,22-dione
| Molecular Formula | C40H34N2O8 |
|---|---|
| Molecular Weight | 670.23 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 670.2315 |
| Heavy Atoms | 50 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 72393-03-4 |
|---|---|
| SMILES | CC1=CC(=O)C2=C3C1=C4C(=CC(=O)C5=C4C6=C7C(=C(C(=C(C7=C5O)O)C8CCCCN8)O)C9=C(C(=C(C(=C2O)C9=C36)O)C1CCCCN1)O)C |
| InChIKey | NPXJNMATXQKVIR-UHFFFAOYSA-N |
Product Overview
Fagopyrine (CAS 72393-03-4), with molecular formula C40H34N2O8 and molecular weight 670.23 g/mol. IUPAC: 9,11,13,16,18,20-hexahydroxy-5,24-dimethyl-12,17-di(piperidin-2-yl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3(8),4(25),5,9,11,13,15,17,19,21(26),23-tridecaene-7,22-dione.
Chemical Property Profile of Fagopyrine
Property Insights of Fagopyrine
The XLogP value of 6.2 indicates that Fagopyrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.0 Ų indicates high polarity, suggesting Fagopyrine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fagopyrine has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fagopyrine?
The CAS number of Fagopyrine is 72393-03-4.
What is the molecular formula of Fagopyrine?
The molecular formula of Fagopyrine is C40H34N2O8.
What is the molecular weight of Fagopyrine?
The molecular weight of Fagopyrine is 670.23 g/mol.
Where can I buy Fagopyrine?
You can request a quote for Fagopyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fagopyrine?
Yes, KEHONG BIO provides custom synthesis services for Fagopyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.