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CAS 1416440-75-9 7-(tert-butoxycarbonylaMino)quinoline-3-carboxylic acid molecular structure lightbox
CAS RN: 1416440-75-9

7-(tert-butoxycarbonylaMino)quinoline-3-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260326 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-052137
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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: 0.25g
  • 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 1416440-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1416440-75-9 / 7-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-3-carboxylic acid

Standard CAS: 1416440-75-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416440-75-9
Multi CAS
No
Molecular Formula
C15H16N2O4
Molecular Weight
288.300000
Exact Mass
288.111007
SMILES
CC(C)(C)OC(=O)NC1=CC2=NC=C(C=C2C=C1)C(=O)O
InChI
InChI=1S/C15H16N2O4/c1-15(2,3)21-14(20)17-11-5-4-9-6-10(13(18)19)8-16-12(9)7-11/h4-8H,1-3H3,(H,17,20)(H,18,19)
InChIKey
INTZBPPTMKHWHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.56
TPSA
88.52

LogP / Solubility

WLOGP
3.28
MLOGP
2.9
XLogP3
2.3
Consensus LogP
2.83
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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