CAS RN: 34934-08-2
4(1H)-Quinazolinone, 6-chloro-2,3-dihydro-2-(1-naphthalenyl)-
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20251123 |
100mg / 1g |
Out of stock |
8-10 business days | Inquiry |
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Product code:
starshine_CAS34934-08-2
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Purity/Analytical Methods:
>99.0%
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34934-08-2 / 6-chloro-2-naphthalen-1-yl-2,3-dihydro-1H-quinazolin-4-one
Standard CAS: 34934-08-2
Multi CAS: No
Basic Information
CAS
34934-08-2
Multi CAS
No
Molecular Formula
C18H13CLN2O
Molecular Weight
308.800000
Exact Mass
308.071641
InChI
InChI=1S/C18H13ClN2O/c19-12-8-9-16-15(10-12)18(22)21-17(20-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17,20H,(H,21,22)
InChIKey
ZGIFEPWYKKDPTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
89.23
TPSA
41.13
LogP / Solubility
WLOGP
4.35
MLOGP
3.84
XLogP3
4.5
Consensus LogP
4.23
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5