CAS RN: 944-78-5
1,2,4,5-tetrachloro-3,6-dimethoxybenzene
Product Availability
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4 package records2 with current stock1 grade group
- Product code: starshine_CAS944-78-5
- Purity/Analytical Methods: >99.0%
944-78-5 / 1,2,4,5-tetrachloro-3,6-dimethoxybenzene
Basic Information
CAS
944-78-5
Multi CAS
No
Molecular Formula
C8H6CL4O2
Molecular Weight
275.900000
Exact Mass
275.909240
InChI
InChI=1S/C8H6Cl4O2/c1-13-7-3(9)5(11)8(14-2)6(12)4(7)10/h1-2H3
InChIKey
HICARXIPJINIRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.59
TPSA
18.46
LogP / Solubility
WLOGP
4.32
MLOGP
3.81
XLogP3
4.7
Consensus LogP
4.28
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34
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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2-AMINO-6,7-DIMETHYL-4-HYDROXY-5,6,7,8-TETRAHYDROPTERIDINE MONOHYDROCHLORIDE
- CAS RN: 945-43-7
- Product Code: starshine_CAS945-43-7
- Purity/Analytical method: >99.0%
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