CAS RN: 90-65-3
PENICILLIC 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.20260219 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS90-65-3
- Purity/Analytical Methods: >99.0%
90-65-3 / 3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
Basic Information
CAS
90-65-3
Multi CAS
Yes
Molecular Formula
C8H10O4
Molecular Weight
170.160000
Exact Mass
170.057909
InChI
InChI=1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4-
InChIKey
VOUGEZYPVGAPBB-XQRVVYSFSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.55
TPSA
63.6
LogP / Solubility
WLOGP
0.75
MLOGP
0.65
XLogP3
0.9
Consensus LogP
0.77
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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