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CAS 4325-50-2 2-CHLORO-2-METHYLNONANE molecular structure lightbox
CAS RN: 4325-50-2

2-CHLORO-2-METHYLNONANE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4325-50-2
  • Purity/Analytical Methods: >99.0%
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4325-50-2 / 2-chloro-2-methylnonane

Standard CAS: 4325-50-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4325-50-2
Multi CAS
No
Molecular Formula
C10H21CL
Molecular Weight
176.720000
Exact Mass
176.133178
InChI
InChI=1S/C10H21Cl/c1-4-5-6-7-8-9-10(2,3)11/h4-9H2,1-3H3
InChIKey
QDJXQCKHBZEIJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
Molar refractivity
53.31
TPSA
0.0000

LogP / Solubility

WLOGP
4.36
MLOGP
3.84
XLogP3
4.9
Consensus LogP
4.37
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
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)
-0.7

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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