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CAS 27177-79-3 LINEARALKYLBENZENESULPHONATE(C18) molecular structure lightbox
CAS RN: 27177-79-3

LINEARALKYLBENZENESULPHONATE(C18)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250808 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS27177-79-3
  • Purity/Analytical Methods: >99.0%
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27177-79-3 / sodium 2-octadecylbenzenesulfonate

Standard CAS: 27177-79-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27177-79-3
Multi CAS
No
Molecular Formula
C24H41NaO3S
Molecular Weight
432.600000
Exact Mass
432.267411
InChI
InChI=1S/C24H42O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27;/h18-19,21-22H,2-17,20H2,1H3,(H,25,26,27);/q;+1/p-1
InChIKey
YURJBQIXCLCEKT-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
18
H-bond acceptors
3
Molar refractivity
117.66
TPSA
57.2

LogP / Solubility

WLOGP
4.4
MLOGP
3.9
XLogP3
4.4
Consensus LogP
4.23
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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