[email protected]
CAS 199327-69-0 4-Chloro-6-Methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazoline molecular structure lightbox
CAS RN: 199327-69-0

4-Chloro-6-Methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazoline

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS199327-69-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

199327-69-0 / 4-chloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline

Standard CAS: 199327-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199327-69-0
Multi CAS
No
Molecular Formula
C16H20ClN3O2
Molecular Weight
321.800000
Exact Mass
321.124405
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)Cl)OCCCN3CCCC3
InChI
InChI=1S/C16H20ClN3O2/c1-21-14-9-12-13(18-11-19-16(12)17)10-15(14)22-8-4-7-20-5-2-3-6-20/h9-11H,2-8H2,1H3
InChIKey
DMBUDLCZXCWIMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
86.89
TPSA
47.48

LogP / Solubility

WLOGP
3.16
MLOGP
2.79
XLogP3
3.3
Consensus LogP
3.08
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

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