CAS RN: 574738-93-5
4(3H)-Quinazolinone, 6-(3-chloropropoxy)-7-Methoxy-
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.20250603 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS574738-93-5
- Purity/Analytical Methods: >99.0%
574738-93-5 / 6-(3-chloropropoxy)-7-methoxy-3H-quinazolin-4-one
Basic Information
CAS
574738-93-5
Multi CAS
No
Molecular Formula
C12H13CLN2O3
Molecular Weight
268.690000
Exact Mass
268.061470
InChI
InChI=1S/C12H13ClN2O3/c1-17-10-6-9-8(12(16)15-7-14-9)5-11(10)18-4-2-3-13/h5-7H,2-4H2,1H3,(H,14,15,16)
InChIKey
BAARZNXBWRRHPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.75
TPSA
64.21
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.6
Consensus LogP
1.75
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
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
-
-
(S)-(-)-1-(4-METHOXYPHENYL)ETHYLAMINE-HCl
- CAS RN: 574744-39-1
- Product Code: starshine_CAS574744-39-1
- Purity/Analytical method: >99.0%
-
-
2-PYRIMIDINAMINE, 4-(3-CHLOROPHENYL)-N-[4-(TRIFLUOROMETHYL)PHENYL]-
- CAS RN: 574759-62-9
- Product Code: SSC-165636
-
Notoginsenoside S
- CAS RN: 575446-95-6
- Product Code: starshine_CAS575446-95-6
- Purity/Analytical method: >99.0%
-
S-5,5′,6,6′,7,7′,8,8′-octahydro-3,3′-diphenyl-[1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 575451-08-0
- Product Code: starshine_CAS575451-08-0
- Purity/Analytical method: >99.0%
![CAS 574759-62-9 2-PYRIMIDINAMINE, 4-(3-CHLOROPHENYL)-N-[4-(TRIFLUOROMETHYL)PHENYL]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/574759-62-9.gif)
![CAS 575451-08-0 S-5,5′,6,6′,7,7′,8,8′-octahydro-3,3′-diphenyl-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/575451-08-0.gif)