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CAS 383130-61-8 5-NAPHTHALEN-1-YLMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 383130-61-8

5-NAPHTHALEN-1-YLMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE

  • Product code: SSC-145896
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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: 5g
  • 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 383130-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

383130-61-8 / 5-(naphthalen-1-ylmethyl)-1,3,4-thiadiazol-2-amine

Standard CAS: 383130-61-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
383130-61-8
Multi CAS
No
Molecular Formula
C13H11N3S
Molecular Weight
241.310000
Exact Mass
241.067369
InChI
InChI=1S/C13H11N3S/c14-13-16-15-12(17-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,14,16)
InChIKey
FZBLLTOCSPCNAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.08
TPSA
51.8

LogP / Solubility

WLOGP
2.86
MLOGP
2.53
XLogP3
3.2
Consensus LogP
2.86
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

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

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