CAS RN: 6894-38-8
(-)-JASMONIC ACID
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS6894-38-8
- Purity/Analytical Methods: >99.0%
6894-38-8 / 2-[(1R,2R)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid
Basic Information
CAS
6894-38-8
Multi CAS
Yes
Molecular Formula
C12H18O3
Molecular Weight
210.270000
Exact Mass
210.125594
InChI
InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
InChIKey
ZNJFBWYDHIGLCU-HWKXXFMVSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.52
TPSA
54.37
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
1.6
Consensus LogP
2.04
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
uncarine A
- CAS RN: 6899-73-6
- Product Code: starshine_CAS6899-73-6
- Purity/Analytical method: >99.0%
-
POTASSIUM METHACRYLATE
- CAS RN: 6900-35-2
- Product Code: starshine_CAS6900-35-2
- Purity/Analytical method: >99.0%
-
Norchelerythrine
- CAS RN: 6900-99-8
- Product Code: starshine_CAS6900-99-8
- Purity/Analytical method: >99.0%
-
GAMMA-LUMICOLCHICINE
- CAS RN: 6901-14-0
- Product Code: starshine_CAS6901-14-0
- Purity/Analytical method: >99.0%
-
3-methylpentacosane
- CAS RN: 6902-54-1
- Product Code: starshine_CAS6902-54-1
- Purity/Analytical method: >99.0%
-
Benzene, 1-(benzyloxy)-4-(2-propynyloxy)- (7CI,8CI)
- CAS RN: 6903-14-6
- Product Code: SSC-178665
