Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
13271-10-8 / 1-chloro-2-[(E)-prop-1-enyl]benzene
Basic Information
CAS
13271-10-8
Multi CAS
No
Molecular Formula
C9H9Cl
Molecular Weight
152.620000
Exact Mass
152.039278
SMILES
C/C=C/C1=CC=CC=C1Cl
InChI
InChI=1S/C9H9Cl/c1-2-5-8-6-3-4-7-9(8)10/h2-7H,1H3/b5-2+
InChIKey
IGKJZZNHGRQLAI-GORDUTHDSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
Molar refractivity
46.16
TPSA
0.0000
LogP / Solubility
WLOGP
3.37
MLOGP
2.96
XLogP3
3.6
Consensus LogP
3.31
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
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)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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ACRYLAMIDO BUFFER
- CAS RN: 13276-17-0
- Product Code: starshine_CAS13276-17-0
- Purity/Analytical method: >99.0%
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