PPIase-Parvulin Inhibitor
TL;DR: PPIase-Parvulin Inhibitor (CAS 64005-90-9) is a chemical compound with molecular formula C22H18N2O8 and molecular weight 438.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[13-(2-ethoxy-2-oxoethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]acetate
Also Known As: PPIase-Parvulin Inhibitor, PPIase-Parvulin, HIC 016C, phenanthroline-2,7-diacetate, phenanthroline-(2H,7H)-diacetate
| Molecular Formula | C22H18N2O8 |
|---|---|
| Molecular Weight | 438.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.10632 |
| Heavy Atoms | 32 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 64005-90-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CC(=O)OCC)C1=O |
| InChIKey | WNKQGFNIIHNGQM-UHFFFAOYSA-N |
Product Overview
PPIase-Parvulin Inhibitor (CAS 64005-90-9), with molecular formula C22H18N2O8 and molecular weight 438.11 g/mol. IUPAC: ethyl 2-[13-(2-ethoxy-2-oxoethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]acetate.
Chemical Property Profile of PPIase-Parvulin Inhibitor
Property Insights of PPIase-Parvulin Inhibitor
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PPIase-Parvulin Inhibitor. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PPIase-Parvulin Inhibitor. Following Lipinski's Rule of Five, PPIase-Parvulin Inhibitor has 0 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 PPIase-Parvulin Inhibitor?
The CAS number of PPIase-Parvulin Inhibitor is 64005-90-9.
What is the molecular formula of PPIase-Parvulin Inhibitor?
The molecular formula of PPIase-Parvulin Inhibitor is C22H18N2O8.
What is the molecular weight of PPIase-Parvulin Inhibitor?
The molecular weight of PPIase-Parvulin Inhibitor is 438.11 g/mol.
Where can I buy PPIase-Parvulin Inhibitor?
You can request a quote for PPIase-Parvulin Inhibitor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PPIase-Parvulin Inhibitor?
Yes, KEHONG BIO provides custom synthesis services for PPIase-Parvulin Inhibitor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.