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CAS 1211594-21-6 N-Boc-7-fluoro-3,4-dihydroquinoline-4(2H)-one molecular structure lightbox
CAS RN: 1211594-21-6

N-Boc-7-fluoro-3,4-dihydroquinoline-4(2H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250924 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-022908
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 10g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1211594-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
1g >97% 3 In Stock Shenzhen Inquiry

1211594-21-6 / tert-butyl 7-fluoro-4-oxo-2,3-dihydroquinoline-1-carboxylate

N-Boc-7-fluoro-3,4-dihydroquinoline-4(2H)-one | MFCD11111220 | tert-butyl 7-fluoro-4-oxo-2,3-dihydroquinoline-1-carboxylate

Standard CAS: 1211594-21-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211594-21-6
Multi CAS
No
Molecular Formula
C14H16FNO3
Molecular Weight
265.280000
Exact Mass
265.111422
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C2=C1C=C(C=C2)F
InChI
InChI=1S/C14H16FNO3/c1-14(2,3)19-13(18)16-7-6-12(17)10-5-4-9(15)8-11(10)16/h4-5,8H,6-7H2,1-3H3
InChIKey
YYGPYBIGAQSMOJ-UHFFFAOYSA-N
Synonyms
N-Boc-7-fluoro-3,4-dihydroquinoline-4(2H)-one MFCD11111220 tert-butyl 7-fluoro-4-oxo-2,3-dihydroquinoline-1-carboxylate TERT-BUTYL 7-FLUORO-4-OXO-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE tert-butyl 7-fluoro-4-oxo-1,2,3,4-tetrahydroquinoline-1-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
68.93
TPSA
46.61

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
2.3
Consensus LogP
2.74
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4
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)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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