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CAS 877861-62-6 5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 877861-62-6

5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE-2-CARBOXYLATE

  • Product code: SSC-198070
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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 877861-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

877861-62-6 / 5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylate

Standard CAS: 877861-62-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
877861-62-6
Multi CAS
Yes
Molecular Formula
C9H9N2O2
Molecular Weight
177.180000
Exact Mass
177.066403
InChI
InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-2-3-10-7-12-5-4-8(10)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H
InChIKey
YQROFCVHUWWCQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.98
TPSA
65.05

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.8
XLogP3
-1.5
Consensus LogP
-1.07
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45

Drug-likeness / Medicinal Chemistry

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

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