CAS RN: 1187930-24-0
5-FLUORO-2-METHYL-BENZAMIDINE HYDROCHLORIDE
- Product code: SSC-018827
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 |
1187930-24-0 / 5-fluoro-2-methylbenzenecarboximidamide;hydrochloride
5-fluoro-2-methylbenzimidamide hydrochloride | 5-Fluoro-2-Methyl-Benzamidine Hydrochloride | MFCD04114448
Basic Information
CAS
1187930-24-0
Multi CAS
No
Molecular Formula
C8H10ClFN2
Molecular Weight
188.630000
Exact Mass
188.051654
SMILES
CC1=C(C=C(C=C1)F)C(=N)N.Cl
InChI
InChI=1S/C8H9FN2.ClH/c1-5-2-3-6(9)4-7(5)8(10)11;/h2-4H,1H3,(H3,10,11);1H
InChIKey
XJMJFKVUKDFJTH-UHFFFAOYSA-N
Synonyms
5-fluoro-2-methylbenzimidamide hydrochloride
5-Fluoro-2-Methyl-Benzamidine Hydrochloride
MFCD04114448
C8H10ClFN2
5-fluoro-2-methylbenzenecarboximidamide;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
49.4
TPSA
49.87
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
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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