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CAS 123-24-0 (3-ETHYLAMYL)(3-ETHYL-N-HEPTYL)CARBINOL molecular structure lightbox
CAS RN: 123-24-0

(3-ETHYLAMYL)(3-ETHYL-N-HEPTYL)CARBINOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250705 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS123-24-0
  • Purity/Analytical Methods: >99.0%
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123-24-0 / 3,9-diethyltridecan-6-ol

Standard CAS: 123-24-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
123-24-0
Multi CAS
No
Molecular Formula
C17H36O
Molecular Weight
256.500000
Exact Mass
256.276616
SMILES
CCCCC(CC)CCC(CCC(CC)CC)O
InChI
InChI=1S/C17H36O/c1-5-9-10-16(8-4)12-14-17(18)13-11-15(6-2)7-3/h15-18H,5-14H2,1-4H3
InChIKey
NWDHHLKROQOLMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
81.85
TPSA
20.23

LogP / Solubility

WLOGP
5.56
MLOGP
4.9
XLogP3
6.9
Consensus LogP
5.79
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.38
Class (SILICOS-IT)
Insoluble

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)
-0.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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