[email protected]
CAS 216661-72-2 6-(4-METHOXY-PHENYL)-3-PYRIDIN-3-YL-PYRAZOLO[1,5-A]PYRIMIDINE molecular structure lightbox
CAS RN: 216661-72-2

6-(4-METHOXY-PHENYL)-3-PYRIDIN-3-YL-PYRAZOLO[1,5-A]PYRIMIDINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260128 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS216661-72-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

216661-72-2 / 6-(4-methoxyphenyl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine

Standard CAS: 216661-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216661-72-2
Multi CAS
No
Molecular Formula
C18H14N4O
Molecular Weight
302.300000
Exact Mass
302.116761
SMILES
COC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CN=CC=C4)N=C2
InChI
InChI=1S/C18H14N4O/c1-23-16-6-4-13(5-7-16)15-10-20-18-17(11-21-22(18)12-15)14-3-2-8-19-9-14/h2-12H,1H3
InChIKey
KEAIZNUXWMQAGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
21
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
88.21
TPSA
52.31

LogP / Solubility

WLOGP
3.47
MLOGP
3.06
XLogP3
2.5
Consensus LogP
3.01
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us