CAS RN: 1029004-83-8
Pistaciamide
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.20250618 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1029004-83-8
- Purity/Analytical Methods: >99.0%
1029004-83-8 / 4-hydroxy-3-(2-oxopyrrolidin-1-yl)benzoic acid
orb1680639 | AKOS040763162
Basic Information
CAS
1029004-83-8
Multi CAS
Yes
Molecular Formula
C11H11NO4
Molecular Weight
221.210000
Exact Mass
221.068808
SMILES
C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)O)O
InChI
InChI=1S/C11H11NO4/c13-9-4-3-7(11(15)16)6-8(9)12-5-1-2-10(12)14/h3-4,6,13H,1-2,5H2,(H,15,16)
InChIKey
SMQZZRUGTUYBFY-UHFFFAOYSA-N
Synonyms
orb1680639
AKOS040763162
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.65
TPSA
77.84
LogP / Solubility
WLOGP
1.22
MLOGP
1.07
XLogP3
0.5
Consensus LogP
0.93
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately 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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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