AS-871/15601108
TL;DR: AS-871/15601108 (CAS 459150-76-6) is a chemical compound with molecular formula C18H14F3N3O5 and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: AS-871/15601108, 6-(1,3-benzodioxol-5-yl)-4-hydroxy-5-(pyridin-3-ylcarbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 6-(1,3-benzodioxol-5-yl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, 6-(1,3-benzodioxol-5-yl)-4-hydroxy-5-(3-pyridinylcarbonyl)-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone
| Molecular Formula | C18H14F3N3O5 |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | 1.9142 |
| Topological Polar Surface Area | 109.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.08856 |
| Heavy Atoms | 29 |
| Complexity | 968.9592 |
Chemical Identifiers
| CAS Number | 459150-76-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3C(C(NC(=O)N3)(C(F)(F)F)O)C(=O)C4=CN=CC=C4 |
Product Overview
AS-871/15601108 (CAS 459150-76-6), with molecular formula C18H14F3N3O5 and molecular weight 409.09 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of AS-871/15601108
Property Insights of AS-871/15601108
The XLogP value of 1.9142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/15601108. The TPSA of 109.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/15601108. Following Lipinski's Rule of Five, AS-871/15601108 has 3 hydrogen bond donor(s) and 6 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 AS-871/15601108?
The CAS number of AS-871/15601108 is 459150-76-6.
What is the molecular formula of AS-871/15601108?
The molecular formula of AS-871/15601108 is C18H14F3N3O5.
What is the molecular weight of AS-871/15601108?
The molecular weight of AS-871/15601108 is 409.09 g/mol.
Where can I buy AS-871/15601108?
You can request a quote for AS-871/15601108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/15601108?
Yes, KEHONG BIO provides custom synthesis services for AS-871/15601108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.