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CAS 1956382-58-3 METHYL 3-AMINOQUINOLINE-5-CARBOXYLATE molecular structure lightbox
CAS RN: 1956382-58-3

METHYL 3-AMINOQUINOLINE-5-CARBOXYLATE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250506 100mg In stock Shanghai Inquiry
Batchno.20260617 100mg / 250mg / 500mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250106 1g In stock Shanghai Inquiry
Batchno.20250803 250mg In stock Shanghai Inquiry
  • Product code: SSC-092515
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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: ＞97%
  • 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 1956382-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1956382-58-3 / methyl 3-aminoquinoline-5-carboxylate

Standard CAS: 1956382-58-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956382-58-3
Multi CAS
No
Molecular Formula
C11H10N2O2
Molecular Weight
202.210000
Exact Mass
202.074228
SMILES
COC(=O)C1=C2C=C(C=NC2=CC=C1)N
InChI
InChI=1S/C11H10N2O2/c1-15-11(14)8-3-2-4-10-9(8)5-7(12)6-13-10/h2-6H,12H2,1H3
InChIKey
VKGVEJFHNHTTTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.49
TPSA
65.21

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

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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