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CAS 88332-30-3 3-Isoamyl-6-methyl-2-heptyl Myristate molecular structure lightbox
CAS RN: 88332-30-3

3-Isoamyl-6-methyl-2-heptyl Myristate

  • Product code: SSC-198908
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 88332-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

88332-30-3 / [6-methyl-3-(3-methylbutyl)heptan-2-yl] tetradecanoate

Standard CAS: 88332-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88332-30-3
Multi CAS
No
Molecular Formula
C27H54O2
Molecular Weight
410.700000
Exact Mass
410.412381
InChI
InChI=1S/C27H54O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-27(28)29-25(6)26(21-19-23(2)3)22-20-24(4)5/h23-26H,7-22H2,1-6H3
InChIKey
JHAGSLRTFDBCLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.96
Rotatable bonds
20
H-bond acceptors
2
Molar refractivity
128.27
TPSA
26.3

LogP / Solubility

WLOGP
9.11
MLOGP
8.04
XLogP3
11.5
Consensus LogP
9.55
Log S (ESOL)
-6.8
Class (ESOL)
Insoluble
Log S (Ali)
-9.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.29
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)
1.24

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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