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CAS RN: 4786-80-5
2-chloro-4-phenylbenzo[h]quinazoline
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.20260113 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4786-80-5
- Purity/Analytical Methods: >99.0%
4786-80-5 / 2-chloro-4-phenylbenzo[h]quinazoline
Basic Information
CAS
4786-80-5
Multi CAS
No
Molecular Formula
C18H11CLN2
Molecular Weight
290.700000
Exact Mass
290.061076
InChI
InChI=1S/C18H11ClN2/c19-18-20-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)21-18/h1-11H
InChIKey
HGPVPXXVBLDHPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
87.49
TPSA
25.78
LogP / Solubility
WLOGP
5.1
MLOGP
4.5
XLogP3
5.4
Consensus LogP
5
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
