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CAS 1806276-05-0 2,6-Dichloro-4-(difluoromethoxy)benzyl alcohol molecular structure lightbox
CAS RN: 1806276-05-0

2,6-Dichloro-4-(difluoromethoxy)benzyl alcohol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1806276-05-0
  • Purity/Analytical Methods: >99.0%
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1806276-05-0 / [2,6-dichloro-4-(difluoromethoxy)phenyl]methanol

Standard CAS: 1806276-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1806276-05-0
Multi CAS
No
Molecular Formula
C8H6Cl2F2O2
Molecular Weight
243.030000
Exact Mass
241.971291
SMILES
C1=C(C=C(C(=C1Cl)CO)Cl)OC(F)F
InChI
InChI=1S/C8H6Cl2F2O2/c9-6-1-4(14-8(11)12)2-7(10)5(6)3-13/h1-2,8,13H,3H2
InChIKey
IXWAFMFGMDHDMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.02
TPSA
29.46

LogP / Solubility

WLOGP
3.09
MLOGP
2.72
XLogP3
3.2
Consensus LogP
3
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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