[email protected]
CAS 147687-17-0 9-Benxyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one molecular structure lightbox
CAS RN: 147687-17-0

9-Benxyloxy-3-(2-Chloro ethyl)-2-methyl pyrido[1,2-a]pyrimidine-4-one

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260520 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS147687-17-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

147687-17-0 / 3-(2-chloroethyl)-2-methyl-9-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

Standard CAS: 147687-17-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147687-17-0
Multi CAS
No
Molecular Formula
C18H17ClN2O2
Molecular Weight
328.800000
Exact Mass
328.097856
SMILES
CC1=C(C(=O)N2C=CC=C(C2=N1)OCC3=CC=CC=C3)CCCl
InChI
InChI=1S/C18H17ClN2O2/c1-13-15(9-10-19)18(22)21-11-5-8-16(17(21)20-13)23-12-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3
InChIKey
DFZLZGAIWJGCIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
91.4
TPSA
43.6

LogP / Solubility

WLOGP
3.36
MLOGP
2.98
XLogP3
3
Consensus LogP
3.11
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us