CAS RN: 153436-68-1
6-(BROMOMETHYL)-4-CHLOROQUINAZOLINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260223 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS153436-68-1
- Purity/Analytical Methods: >99.0%
153436-68-1 / 6-(bromomethyl)-4-chloroquinazoline
Basic Information
CAS
153436-68-1
Multi CAS
No
Molecular Formula
C9H6BrClN2
Molecular Weight
257.510000
Exact Mass
255.940290
SMILES
C1=CC2=C(C=C1CBr)C(=NC=N2)Cl
InChI
InChI=1S/C9H6BrClN2/c10-4-6-1-2-8-7(3-6)9(11)13-5-12-8/h1-3,5H,4H2
InChIKey
FUWFVMHHNPEPHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
57.18
TPSA
25.78
LogP / Solubility
WLOGP
3.18
MLOGP
2.8
XLogP3
3.1
Consensus LogP
3.03
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-(3′-HYDROXYPHENYL)AMINO-6,7-DIMETHOXYQUINAZOLINE, HCL
- CAS RN: 153437-55-9
- Product Code: starshine_CAS153437-55-9
- Purity/Analytical method: >99.0%
-
-
-
-
(S)-N-tritylbut-3-en-2-aMine
- CAS RN: 153451-34-4
- Product Code: starshine_CAS153451-34-4
- Purity/Analytical method: >99.0%
