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CAS 38020-81-4 IODOACETYL CHLORIDE molecular structure lightbox
CAS RN: 38020-81-4

IODOACETYL CHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260118 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS38020-81-4
  • Purity/Analytical Methods: >99.0%
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38020-81-4 / 2-iodoacetyl chloride

Standard CAS: 38020-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38020-81-4
Multi CAS
No
Molecular Formula
C3H2LiO
Molecular Weight
204.390000
Exact Mass
203.883890
InChI
InChI=1S/C2H2ClIO/c3-2(5)1-4/h1H2
InChIKey
BSVMPWANOMFSPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
29.75
TPSA
17.07

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
1.5
Consensus LogP
1.24
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1

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