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CAS 1184950-48-8 tert-Butyl 3-broMo-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate molecular structure lightbox
CAS RN: 1184950-48-8

tert-Butyl 3-broMo-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250209 100mg In stock Shanghai Inquiry
Batchno.20250306 1g In stock Shanghai Inquiry
Batchno.20250126 250mg In stock Shanghai Inquiry
Batchno.20250627 5g In stock Shanghai Inquiry
  • Product code: SSC-018284
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1184950-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1184950-48-8 / tert-butyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

tert-Butyl 3-bromo-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate | 6-BOC-3-BROMO-7,8-DIHYDRO-5H-[1,6]NAPHTHYRIDINE | MFCD14581749

Standard CAS: 1184950-48-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1184950-48-8
Multi CAS
No
Molecular Formula
C13H17BrN2O2
Molecular Weight
313.190000
Exact Mass
312.047340
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=N2)Br
InChI
InChI=1S/C13H17BrN2O2/c1-13(2,3)18-12(17)16-5-4-11-9(8-16)6-10(14)7-15-11/h6-7H,4-5,8H2,1-3H3
InChIKey
BWCWLVFPHPFTEW-UHFFFAOYSA-N
Synonyms
tert-Butyl 3-bromo-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate 6-BOC-3-BROMO-7,8-DIHYDRO-5H-[1,6]NAPHTHYRIDINE MFCD14581749 tert-butyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate TERT-BUTYL 3-BROMO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE-6-CARBOXYLATE

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
72.29
TPSA
42.43

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
2.3
Consensus LogP
2.74
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

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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