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CAS 936249-28-4 2,3-Dichloro-6-methoxy-benzaldehyde molecular structure lightbox
CAS RN: 936249-28-4

2,3-Dichloro-6-methoxy-benzaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS936249-28-4
  • Purity/Analytical Methods: >99.0%
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936249-28-4 / 2,3-dichloro-6-methoxybenzaldehyde

Standard CAS: 936249-28-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
936249-28-4
Multi CAS
No
Molecular Formula
C8H6CL2O2
Molecular Weight
205.030000
Exact Mass
203.974485
InChI
InChI=1S/C8H6Cl2O2/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4H,1H3
InChIKey
LKRDOTPHEHYNEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
48.4
TPSA
26.3

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
2.6
Consensus LogP
2.63
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-1.97

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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