CAS RN: 393078-37-0
(2,3-Dichloro-6-Nitrophenyl)Methanol
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.20250205 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS393078-37-0
- Purity/Analytical Methods: >99.0%
393078-37-0 / (2,3-dichloro-6-nitrophenyl)methanol
Basic Information
CAS
393078-37-0
Multi CAS
No
Molecular Formula
C7H5CL2NO3
Molecular Weight
222.020000
Exact Mass
220.964648
InChI
InChI=1S/C7H5Cl2NO3/c8-5-1-2-6(10(12)13)4(3-11)7(5)9/h1-2,11H,3H2
InChIKey
OCSXCROLWYVFAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.04
TPSA
63.37
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.1
Consensus LogP
2.2
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-2.37
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
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