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CAS 355818-98-3 6-BOC-3-NITRO-7,8-DIHYDRO-5H-[1,6]NAPHTHYRIDINE molecular structure lightbox
CAS RN: 355818-98-3

6-BOC-3-NITRO-7,8-DIHYDRO-5H-[1,6]NAPHTHYRIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260219 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-142601
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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: 0.05g, 0.1g, 0.25g, 5g, 10g, 25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • 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 355818-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >97% 3 In Stock Shenzhen Inquiry
0.1g >97% 3 In Stock Beijing Inquiry
0.25g >97% 3 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Shenzhen Inquiry
10g >97% 3 In Stock Shenzhen Inquiry
25g >97% 3 In Stock Beijing Inquiry
1g >97% 2 In Stock Shanghai Inquiry

355818-98-3 / tert-butyl 3-nitro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

Standard CAS: 355818-98-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
355818-98-3
Multi CAS
No
Molecular Formula
C13H17N3O4
Molecular Weight
279.290000
Exact Mass
279.121906
InChI
InChI=1S/C13H17N3O4/c1-13(2,3)20-12(17)15-5-4-11-9(8-15)6-10(7-14-11)16(18)19/h6-7H,4-5,8H2,1-3H3
InChIKey
PBUXRZQTDKBQBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
71.24
TPSA
85.57

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
1.4
Consensus LogP
1.9
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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