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CAS 5696-79-7 (1-NAPHTHYLMETHYL)GUANIDINE molecular structure lightbox
CAS RN: 5696-79-7

(1-NAPHTHYLMETHYL)GUANIDINE

  • Product code: SSC-164989
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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: 0.25g
  • 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 5696-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

5696-79-7 / 2-(naphthalen-1-ylmethyl)guanidine

Standard CAS: 5696-79-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5696-79-7
Multi CAS
Yes
Molecular Formula
C12H13N3
Molecular Weight
199.250000
Exact Mass
199.110947
InChI
InChI=1S/C12H13N3/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H4,13,14,15)
InChIKey
HNCIJEQEYCRDJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
63.46
TPSA
64.4

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

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

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