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CAS 71035-02-4 GLYCERYL MONTANATE molecular structure lightbox
CAS RN: 71035-02-4

GLYCERYL MONTANATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260621 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS71035-02-4
  • Purity/Analytical Methods: >99.0%
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71035-02-4 / 2,3-dihydroxypropyl octacosanoate

Standard CAS: 71035-02-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71035-02-4
Multi CAS
Yes
Molecular Formula
C31H62O4
Molecular Weight
498.800000
Exact Mass
498.464810
InChI
InChI=1S/C31H62O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31(34)35-29-30(33)28-32/h30,32-33H,2-29H2,1H3
InChIKey
BQMPZRKQANYIQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.97
Rotatable bonds
29
H-bond acceptors
4
H-bond donors
2
Molar refractivity
149.77
TPSA
66.76

LogP / Solubility

WLOGP
9.05
MLOGP
8
XLogP3
12.8
Consensus LogP
9.95
Log S (ESOL)
-6.72
Class (ESOL)
Insoluble
Log S (Ali)
-10.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.89
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)
0.66

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
3

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