CAS RN: 53179-78-5
(1R-cis)-Decamethrinic Acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260307 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: LINR923039
53179-78-5 / trans-(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Basic Information
CAS
53179-78-5
Multi CAS
Yes
Molecular Formula
C8H10BR2O2
Molecular Weight
297.970000
Exact Mass
297.902710
InChI
InChI=1S/C8H10Br2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6-/m0/s1
InChIKey
MDIQXIJPQWLFSD-NJGYIYPDSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.33
TPSA
37.3
LogP / Solubility
WLOGP
2.97
MLOGP
2.63
XLogP3
3.4
Consensus LogP
3
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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