CAS RN: 14398-53-9
(-)-CIS, TRANS-ABSCISIC ACID
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250104 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS14398-53-9
- Purity/Analytical Methods: >99.0%
14398-53-9 / (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Basic Information
CAS
14398-53-9
Multi CAS
No
Molecular Formula
C15H20O4
Molecular Weight
264.320000
Exact Mass
264.136159
SMILES
CC1=CC(=O)CC([C@@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C
InChI
InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m0/s1
InChIKey
JLIDBLDQVAYHNE-QHFMCZIYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.64
TPSA
74.6
LogP / Solubility
WLOGP
2.25
MLOGP
1.99
XLogP3
1.6
Consensus LogP
1.95
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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- CAS RN: 14401-75-3
- Product Code: starshine_CAS14401-75-3
- Purity/Analytical method: >99.0%
