[email protected]
CAS 1351635-67-0 ONO-4059 molecular structure lightbox
CAS RN: 1351635-67-0

ONO-4059

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1351635-67-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1351635-67-0 / 6-amino-7-(4-phenoxyphenyl)-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-8-one

Standard CAS: 1351635-67-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1351635-67-0
Multi CAS
No
Molecular Formula
C25H24N6O3
Molecular Weight
456.500000
Exact Mass
456.190989
SMILES
C=CC(=O)N1CCC[C@@H](C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N
InChI
InChI=1S/C25H24N6O3/c1-2-21(32)29-14-6-7-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-10-12-20(13-11-17)34-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
InChIKey
KSUDUUBCXJUFRL-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
129.1
TPSA
108.27

LogP / Solubility

WLOGP
3.31
MLOGP
2.94
XLogP3
2.9
Consensus LogP
3.05
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us