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CAS 62016-82-4 1-Chlorotriacontane molecular structure lightbox
CAS RN: 62016-82-4

1-Chlorotriacontane

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTT1911
  • Purity/Analytical Methods: >85.0%(GC)
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62016-82-4 / 1-chlorotriacontane

Standard CAS: 62016-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62016-82-4
Multi CAS
No
Molecular Formula
C30H61CL
Molecular Weight
457.300000
Exact Mass
456.446180
InChI
InChI=1S/C30H61Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h2-30H2,1H3
InChIKey
NSPRLRIWTSAZOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
28
Molar refractivity
145.67
TPSA
0.0000

LogP / Solubility

WLOGP
12.17
MLOGP
10.74
XLogP3
16.6
Consensus LogP
13.17
Log S (ESOL)
-8.49
Class (ESOL)
Insoluble
Log S (Ali)
-12.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
3.13

Drug-likeness / Medicinal Chemistry

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

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