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CAS 38136-29-7 4-Methylvaleryl Chloride molecular structure lightbox
CAS RN: 38136-29-7

4-Methylvaleryl Chloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 5ml / 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: ICTM2287
  • Purity/Analytical Methods: >98.0%(T)
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38136-29-7 / 4-methylpentanoyl chloride

Standard CAS: 38136-29-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38136-29-7
Multi CAS
Yes
Molecular Formula
C6H11CLO
Molecular Weight
134.600000
Exact Mass
134.049843
InChI
InChI=1S/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3
InChIKey
SVWCVXFHTHCJJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
34.93
TPSA
17.07

LogP / Solubility

WLOGP
2.19
MLOGP
1.92
XLogP3
2.4
Consensus LogP
2.17
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-1.99

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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