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CAS 80664-09-1 N-(3-IODO-PHENYL)-GUANIDINE molecular structure lightbox
CAS RN: 80664-09-1

N-(3-IODO-PHENYL)-GUANIDINE

  • Product code: SSC-189389
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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 80664-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

80664-09-1 / 2-(3-iodophenyl)guanidine

Standard CAS: 80664-09-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80664-09-1
Multi CAS
No
Molecular Formula
C7H8In3
Molecular Weight
261.060000
Exact Mass
260.976290
InChI
InChI=1S/C7H8IN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKey
VKJFNTIDNIZFDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
54.63
TPSA
64.4

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1.8
Consensus LogP
1.35
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-3.46

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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