CAS RN: 915071-41-9
1-(3-CHLORO-4-FLUOROPHENYL)BIGUANIDE 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.20250129 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS915071-41-9
- Purity/Analytical Methods: >99.0%
915071-41-9 / 2-(3-chloro-4-fluorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride
Basic Information
CAS
915071-41-9
Multi CAS
No
Molecular Formula
C8H10CL2FN5
Molecular Weight
266.100000
Exact Mass
265.029729
InChI
InChI=1S/C8H9ClFN5.ClH/c9-5-3-4(1-2-6(5)10)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H
InChIKey
DLLQSZUCBVOQDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
3
Molar refractivity
65.75
TPSA
102.78
LogP / Solubility
WLOGP
1.12
MLOGP
0.99
XLogP3
1.12
Consensus LogP
1.08
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
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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