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CAS 1179362-42-5 Isoquinoline-3-carboxiMidaMide hydrochloride molecular structure lightbox
CAS RN: 1179362-42-5

Isoquinoline-3-carboxiMidaMide hydrochloride

  • Product code: SSC-017790
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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 1179362-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1179362-42-5 / isoquinoline-3-carboximidamide;hydrochloride

isoquinoline-3-carboximidamide hydrochloride | isoquinoline-3-carboximidamide HCl | MFCD12755569

Standard CAS: 1179362-42-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1179362-42-5
Multi CAS
Yes
Molecular Formula
C10H10ClN3
Molecular Weight
207.660000
Exact Mass
207.056325
SMILES
C1=CC=C2C=NC(=CC2=C1)C(=N)N.Cl
InChI
InChI=1S/C10H9N3.ClH/c11-10(12)9-5-7-3-1-2-4-8(7)6-13-9;/h1-6H,(H3,11,12);1H
InChIKey
IMCAGIJSBQEATO-UHFFFAOYSA-N
Synonyms
isoquinoline-3-carboximidamide hydrochloride isoquinoline-3-carboximidamide HCl MFCD12755569 isoquinoline-3-carboximidamide;hydrochloride Isoquinoline-3-carboximidamidehydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.01
TPSA
62.76

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.94
Consensus LogP
1.86
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.61

Drug-likeness / Medicinal Chemistry

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

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