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CAS 1060816-50-3 7-Chloro-3,4-dihydro-1H-[2,6]naphthyridine-2-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1060816-50-3

7-Chloro-3,4-dihydro-1H-[2,6]naphthyridine-2-carboxylic acid tert-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-007904
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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
  • 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 1060816-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1060816-50-3 / tert-butyl 7-chloro-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate

TERT-BUTYL 7-CHLORO-3,4-DIHYDRO-2,6-NAPHTHYRIDINE-2(1H)-CARBOXYLATE | TERT-BUTYL 7-CHLORO-3,4-DIHYDRO-1H-2,6-NAPHTHYRIDINE-2-CARBOXYLATE | MFCD13189403

Standard CAS: 1060816-50-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060816-50-3
Multi CAS
No
Molecular Formula
C13H17ClN2O2
Molecular Weight
268.740000
Exact Mass
268.097856
SMILES
CC(C)(C)OC(=O)N1CCC2=CN=C(C=C2C1)Cl
InChI
InChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-5-4-9-7-15-11(14)6-10(9)8-16/h6-7H,4-5,8H2,1-3H3
InChIKey
KWEUYGQXJOTAGR-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 7-CHLORO-3,4-DIHYDRO-2,6-NAPHTHYRIDINE-2(1H)-CARBOXYLATE TERT-BUTYL 7-CHLORO-3,4-DIHYDRO-1H-2,6-NAPHTHYRIDINE-2-CARBOXYLATE MFCD13189403 2-Boc-7-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine 7-CHLORO-3,4-DIHYDRO-1H-[2,6]NAPHTHYRIDINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER

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
69.6
TPSA
42.43

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
2.5
Consensus LogP
2.73
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly 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)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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