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CAS 629-83-4 Methyl Triacontanate molecular structure lightbox
CAS RN: 629-83-4

Methyl Triacontanate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260407 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: ICTT0812
  • Purity/Analytical Methods: >95.0%(GC)
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629-83-4 / methyl triacontanoate

Standard CAS: 629-83-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
629-83-4
Multi CAS
Yes
Molecular Formula
C31H62O2
Molecular Weight
466.800000
Exact Mass
466.474981
InChI
InChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-2/h3-30H2,1-2H3
InChIKey
BIRUBGLRQLAEFF-UHFFFAOYSA-N

Physical Properties

Physical Description
Beige powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.97
Rotatable bonds
28
H-bond acceptors
2
Molar refractivity
146.97
TPSA
26.3

LogP / Solubility

WLOGP
11.1
MLOGP
9.8
XLogP3
15.5
Consensus LogP
12.13
Log S (ESOL)
-7.88
Class (ESOL)
Insoluble
Log S (Ali)
-11.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.27
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)
2.31

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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