[email protected]
CAS 2724-58-5 ISOSTEARIC ACID molecular structure lightbox
CAS RN: 2724-58-5

ISOSTEARIC ACID

  • Product code: SSC-126163
GET A QUOTE
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: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 2724-58-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

2724-58-5 / 16-methylheptadecanoic acid

Standard CAS: 2724-58-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2724-58-5
Multi CAS
No
Molecular Formula
C18H36O2
Molecular Weight
284.500000
Exact Mass
284.271530
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
InChIKey
XDOFQFKRPWOURC-UHFFFAOYSA-N

Physical Properties

Melting Point
69.5 °C
Physical Description
Liquid; Liquid, Other Solid Solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
1
Molar refractivity
87.11
TPSA
37.3

LogP / Solubility

WLOGP
6.19
MLOGP
5.46
XLogP3
7.2
Consensus LogP
6.28
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.06

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
1.5

Customers Also Viewed

Get In Touch

Contact Us