CAS RN: 288385-98-8
1-(3-(Benzyloxy)-2-fluoro-6-nitrophenyl)propan-2-one
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.20250501 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS288385-98-8
- Purity/Analytical Methods: >99.0%
288385-98-8 / 1-(2-fluoro-6-nitro-3-phenylmethoxyphenyl)propan-2-one
Basic Information
CAS
288385-98-8
Multi CAS
No
Molecular Formula
C16H14FNO4
Molecular Weight
303.280000
Exact Mass
303.090686
InChI
InChI=1S/C16H14FNO4/c1-11(19)9-13-14(18(20)21)7-8-15(16(13)17)22-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKey
PWDPRNDZBPRZKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
78.21
TPSA
69.44
LogP / Solubility
WLOGP
3.44
MLOGP
3.04
XLogP3
2.9
Consensus LogP
3.13
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
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2-PROPANONE, 1-(2-FLUORO-3-METHOXY-6-NITROPHENYL)-
- CAS RN: 288385-99-9
- Product Code: SSC-130667
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