CAS RN: 1179362-50-5
5-PhenylpicoliniMidaMide hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250515 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-017792
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1179362-50-5 / 5-phenylpyridine-2-carboximidamide;hydrochloride
5-phenylpicolinimidamide hydrochloride | MFCD12755603 | 5-PHENYLPICOLINIMIDAMIDE HCL
Basic Information
CAS
1179362-50-5
Multi CAS
No
Molecular Formula
C12H12ClN3
Molecular Weight
233.690000
Exact Mass
233.071975
SMILES
C1=CC=C(C=C1)C2=CN=C(C=C2)C(=N)N.Cl
InChI
InChI=1S/C12H11N3.ClH/c13-12(14)11-7-6-10(8-15-11)9-4-2-1-3-5-9;/h1-8H,(H3,13,14);1H
InChIKey
BXHJWKSDJAZAGU-UHFFFAOYSA-N
Synonyms
5-phenylpicolinimidamide hydrochloride
MFCD12755603
5-PHENYLPICOLINIMIDAMIDE HCL
5-phenylpyridine-2-carboximidamide;hydrochloride
5-Phenylpicolinimidamidehydrochloride
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.94
TPSA
62.76
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.45
Consensus LogP
2.35
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-2.4
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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