CAS RN: 886498-80-2
3,5-DIFLUORO-2-METHOXYBENZOYL CHLORIDE
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.20250901 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS886498-80-2
- Purity/Analytical Methods: >99.0%
886498-80-2 / 3,5-difluoro-2-methoxybenzoyl chloride
Basic Information
CAS
886498-80-2
Multi CAS
No
Molecular Formula
C8H5CLF2O2
Molecular Weight
206.570000
Exact Mass
205.994613
InChI
InChI=1S/C8H5ClF2O2/c1-13-7-5(8(9)12)2-4(10)3-6(7)11/h2-3H,1H3
InChIKey
AHUJYAFOUSHYKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.09
TPSA
26.3
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.6
Consensus LogP
2.34
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
