CAS RN: 288385-87-5
(R)-1-(2,6-Dichloro-3-fluorophenyl)ethanol
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.20250317 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS288385-87-5
- Purity/Analytical Methods: >99.0%
288385-87-5 / [6-methoxy-4-oxo-7-(piperidin-4-ylmethoxy)quinazolin-3-yl]methyl 2,2-dimethylpropanoate
Basic Information
CAS
288385-87-5
Multi CAS
No
Molecular Formula
C21H29N3O5
Molecular Weight
403.500000
Exact Mass
403.210721
InChI
InChI=1S/C21H29N3O5/c1-21(2,3)20(26)29-13-24-12-23-16-10-18(17(27-4)9-15(16)19(24)25)28-11-14-5-7-22-8-6-14/h9-10,12,14,22H,5-8,11,13H2,1-4H3
InChIKey
UDQOUIKKIADMCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
1
Molar refractivity
109.19
TPSA
91.68
LogP / Solubility
WLOGP
2.33
MLOGP
2.08
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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