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CAS 1421254-01-4 Tert-Butyl 2-Chloro-4-Methyl-7,8-Dihydro-1,6-Naphthyridine-6(5H)-Carboxylate molecular structure lightbox
CAS RN: 1421254-01-4

Tert-Butyl 2-Chloro-4-Methyl-7,8-Dihydro-1,6-Naphthyridine-6(5H)-Carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250307 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-052838
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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: 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 1421254-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1421254-01-4 / tert-butyl 2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

Standard CAS: 1421254-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1421254-01-4
Multi CAS
No
Molecular Formula
C14H19ClN2O2
Molecular Weight
282.760000
Exact Mass
282.113506
SMILES
CC1=CC(=NC2=C1CN(CC2)C(=O)OC(C)(C)C)Cl
InChI
InChI=1S/C14H19ClN2O2/c1-9-7-12(15)16-11-5-6-17(8-10(9)11)13(18)19-14(2,3)4/h7H,5-6,8H2,1-4H3
InChIKey
ITGZJJFPPBULFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
74.33
TPSA
42.43

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
2.9
Consensus LogP
3.06
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
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)
-2.08

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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