F1311-0017
TL;DR: F1311-0017 (CAS 501106-01-0) is a chemical compound with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-imino-13-methyl-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: F1311-0017, ethyl 2-imino-8-methyl-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl 6-imino-13-methyl-7-[3-(morpholin-4-yl)propyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl 6-imino-13-methyl-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
| Molecular Formula | C22H27N5O4 |
|---|---|
| Molecular Weight | 425.21 g/mol |
| LogP | 1.33609 |
| Topological Polar Surface Area | 101.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.2063 |
| Heavy Atoms | 31 |
| Complexity | 1240.587 |
Chemical Identifiers
| CAS Number | 501106-01-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC(=CN3C2=O)C)N(C1=N)CCCN4CCOCC4 |
Product Overview
F1311-0017 (CAS 501106-01-0), with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol. IUPAC: ethyl 6-imino-13-methyl-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of F1311-0017
Property Insights of F1311-0017
The XLogP value of 1.33609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1311-0017. The TPSA of 101.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F1311-0017. Following Lipinski's Rule of Five, F1311-0017 has 1 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 F1311-0017?
The CAS number of F1311-0017 is 501106-01-0.
What is the molecular formula of F1311-0017?
The molecular formula of F1311-0017 is C22H27N5O4.
What is the molecular weight of F1311-0017?
The molecular weight of F1311-0017 is 425.21 g/mol.
Where can I buy F1311-0017?
You can request a quote for F1311-0017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1311-0017?
Yes, KEHONG BIO provides custom synthesis services for F1311-0017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.