ATX inhibitor 7
TL;DR: ATX inhibitor 7 (CAS 714928-29-7) is a chemical compound with molecular formula C18H22FN3O3 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-5-(heptyliminomethyl)-6-hydroxypyrimidine-2,4-dione
Also Known As: ATX inhibitor 7, 1-(4-fluorophenyl)-5-[(heptylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-1-(4-fluorophenyl)-5-[(heptylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-3-(4-fluorophenyl)-5-[(heptylamino)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione, (Z)-1-(4-fluorophenyl)-5-((heptylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C18H22FN3O3 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 2.7598 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 347.16452 |
| Heavy Atoms | 25 |
| Complexity | 838.1253 |
Chemical Identifiers
| CAS Number | 714928-29-7 |
|---|---|
| SMILES | CCCCCCCN=CC1=C(N(C(=O)NC1=O)C2=CC=C(C=C2)F)O |
Product Overview
ATX inhibitor 7 (CAS 714928-29-7), with molecular formula C18H22FN3O3 and molecular weight 347.16 g/mol. IUPAC: 1-(4-fluorophenyl)-5-(heptyliminomethyl)-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of ATX inhibitor 7
Property Insights of ATX inhibitor 7
The XLogP value of 2.7598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ATX inhibitor 7. The TPSA of 87.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ATX inhibitor 7. Following Lipinski's Rule of Five, ATX inhibitor 7 has 2 hydrogen bond donor(s) and 4 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 ATX inhibitor 7?
The CAS number of ATX inhibitor 7 is 714928-29-7.
What is the molecular formula of ATX inhibitor 7?
The molecular formula of ATX inhibitor 7 is C18H22FN3O3.
What is the molecular weight of ATX inhibitor 7?
The molecular weight of ATX inhibitor 7 is 347.16 g/mol.
Where can I buy ATX inhibitor 7?
You can request a quote for ATX inhibitor 7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ATX inhibitor 7?
Yes, KEHONG BIO provides custom synthesis services for ATX inhibitor 7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.