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CAS 1022283-51-7 2-Methyl-2-(quinolin-6-yl)propanoic acid molecular structure lightbox
CAS RN: 1022283-51-7

2-Methyl-2-(quinolin-6-yl)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250616 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-003525
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1022283-51-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1022283-51-7 / 2-methyl-2-quinolin-6-ylpropanoic acid

2-METHYL-2-(QUINOLIN-6-YL)PROPANOIC ACID | MFCD18260330 | 2-methyl-2-quinolin-6-ylpropanoic acid

Standard CAS: 1022283-51-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1022283-51-7
Multi CAS
No
Molecular Formula
C13H13NO2
Molecular Weight
215.250000
Exact Mass
215.094629
SMILES
CC(C)(C1=CC2=C(C=C1)N=CC=C2)C(=O)O
InChI
InChI=1S/C13H13NO2/c1-13(2,12(15)16)10-5-6-11-9(8-10)4-3-7-14-11/h3-8H,1-2H3,(H,15,16)
InChIKey
ZPAJTGQVZLTFSG-UHFFFAOYSA-N
Synonyms
2-METHYL-2-(QUINOLIN-6-YL)PROPANOIC ACID MFCD18260330 2-methyl-2-quinolin-6-ylpropanoic acid SCHEMBL12049554 AKOS017558258

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.4
TPSA
50.19

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

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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