CAS RN: 4675-61-0
CIS-9,10-METHYLENEOCTADECANOIC ACID
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251009 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS4675-61-0
- Purity/Analytical Methods: >99.0%
4675-61-0 / 8-(2-octylcyclopropyl)octanoic acid
Basic Information
CAS
4675-61-0
Multi CAS
Yes
Molecular Formula
C19H36O2
Molecular Weight
296.500000
Exact Mass
296.271530
InChI
InChI=1S/C19H36O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/t17-,18+/m0/s1
InChIKey
PDXZQLDUVAKMBQ-ZWKOTPCHSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.95
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
1
Molar refractivity
89.54
TPSA
37.3
LogP / Solubility
WLOGP
6.19
MLOGP
5.46
XLogP3
7.2
Consensus LogP
6.28
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
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)
-0.13
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
3.5
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