Phomalirazine
TL;DR: Phomalirazine (CAS 14039-09-9) is a chemical compound with molecular formula C17H20N2O6S2 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.01,12.03,11.05,9]octadec-5(9)-ene-4,13,17-trione
Also Known As: Phomalirazine, 2-Methoxy-6-trifluoromethyl-benzosaure, 3-hydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.01,12.03,11.05,9]octadec-5(9)-ene-4,13,17-trione, 4a-hydroxy-8-(hydroxymethyl)-2,3,3-trimethyl-2,3,4a,5,7,8,10a,11-octahydro-4h-5a,8-epidithiofuro[3,2-f]pyrazino[1,2-a]indole-4,6,9-trione, 10H-3,11a-(Iminomethano)(1,2,4)dithiazino(4,3-a)furo(3,2-f)indole-4,10,12(3H)-trione, 5a,6,8,9,10a,11-hexahydro-10a-hydroxy-3- (hydroxymethyl)-8,9,9-trimethyl-, (3R-(3alpha,5aalpha,8beta,10aalpha,11aalpha))-
| Molecular Formula | C17H20N2O6S2 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 412.0763 |
| Heavy Atoms | 27 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 14039-09-9 |
|---|---|
| SMILES | CC1C(C2=C(O1)CC3C(C2=O)(CC45N3C(=O)C(NC4=O)(SS5)CO)O)(C)C |
| InChIKey | OSRGMDLTJLMMIF-UHFFFAOYSA-N |
Product Overview
Phomalirazine (CAS 14039-09-9), with molecular formula C17H20N2O6S2 and molecular weight 412.08 g/mol. IUPAC: 3-hydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.01,12.03,11.05,9]octadec-5(9)-ene-4,13,17-trione.
Chemical Property Profile of Phomalirazine
Property Insights of Phomalirazine
The XLogP value of -0.1 indicates that Phomalirazine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting Phomalirazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phomalirazine has 3 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 Phomalirazine?
The CAS number of Phomalirazine is 14039-09-9.
What is the molecular formula of Phomalirazine?
The molecular formula of Phomalirazine is C17H20N2O6S2.
What is the molecular weight of Phomalirazine?
The molecular weight of Phomalirazine is 412.08 g/mol.
Where can I buy Phomalirazine?
You can request a quote for Phomalirazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phomalirazine?
Yes, KEHONG BIO provides custom synthesis services for Phomalirazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.