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CAS 1271523-34-2 1,5-DICHLORO-2-IODO-3-METHOXYBENZENE molecular structure lightbox
CAS RN: 1271523-34-2

1,5-DICHLORO-2-IODO-3-METHOXYBENZENE

Product Availability

Choose a grade to view its available package options.

3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250315 100mg In stock Shenzhen Inquiry
Batchno.20260210 1g Out of stock Inquiry
Batchno.20260215 250mg Out of stock Inquiry
  • Product code: starshine_CAS1271523-34-2
  • Purity/Analytical Methods: >99.0%
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1271523-34-2 / 1,5-dichloro-2-iodo-3-methoxybenzene

Standard CAS: 1271523-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1271523-34-2
Multi CAS
No
Molecular Formula
C7H5Cl2IO
Molecular Weight
302.920000
Exact Mass
301.876220
SMILES
COC1=C(C(=CC(=C1)Cl)Cl)I
InChI
InChI=1S/C7H5Cl2IO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,1H3
InChIKey
QAVIKJDKZDNHRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.73
TPSA
9.23

LogP / Solubility

WLOGP
3.61
MLOGP
3.19
XLogP3
3.8
Consensus LogP
3.53
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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