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CAS 928772-51-4 1,7(2H)-Quinolinedicarboxylic acid, 3,4-dihydro-, 1-(1,1-diMethylethyl) ester molecular structure lightbox
CAS RN: 928772-51-4

1,7(2H)-Quinolinedicarboxylic acid, 3,4-dihydro-, 1-(1,1-diMethylethyl) ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-206758
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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 928772-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

928772-51-4 / 1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-7-carboxylic acid

Standard CAS: 928772-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
928772-51-4
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-8-4-5-10-6-7-11(13(17)18)9-12(10)16/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKey
AGDKRKMKUIPRLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.3
TPSA
66.84

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
2.6
Consensus LogP
2.79
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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