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CAS 1576-93-8 trans-4-Chloro-2-butene-1-ol molecular structure lightbox
CAS RN: 1576-93-8

trans-4-Chloro-2-butene-1-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250604 50g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1576-93-8
  • Purity/Analytical Methods: >99.0%
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1576-93-8 / (E)-4-chlorobut-2-en-1-ol

Standard CAS: 1576-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1576-93-8
Multi CAS
No
Molecular Formula
C4H7ClO
Molecular Weight
106.550000
Exact Mass
106.018543
SMILES
C(/C=C/CCl)O
InChI
InChI=1S/C4H7ClO/c5-3-1-2-4-6/h1-2,6H,3-4H2/b2-1+
InChIKey
WVRLAHTVGOLBEB-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.95
TPSA
20.23

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.5
Consensus LogP
0.65
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
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)
-2.82

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
1.5

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