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, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
57297-29-7 / cyclopropanecarboximidamide;hydrochloride
Basic Information
CAS
57297-29-7
Multi CAS
Yes
Molecular Formula
C4H9CLN2
Molecular Weight
120.580000
Exact Mass
120.045426
InChI
InChI=1S/C4H8N2.ClH/c5-4(6)3-1-2-3;/h3H,1-2H2,(H3,5,6);1H
InChIKey
JRYOZJIRAVZGMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
31.89
TPSA
49.87
LogP / Solubility
WLOGP
0.75
MLOGP
0.65
XLogP3
0.75
Consensus LogP
0.72
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-2.92
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
