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: 5g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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.
38460-95-6 / undec-10-enoyl chloride
Basic Information
CAS
38460-95-6
Multi CAS
Yes
Molecular Formula
C11H19CLO
Molecular Weight
202.720000
Exact Mass
202.112443
InChI
InChI=1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2
InChIKey
MZFGYVZYLMNXGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.73
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
57.99
TPSA
17.07
LogP / Solubility
WLOGP
4.06
MLOGP
3.57
XLogP3
4.8
Consensus LogP
4.14
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08
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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