CAS RN: 6976-07-4
N-P-TOLYL-GUANIDINE 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.20250718 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6976-07-4
- Purity/Analytical Methods: >99.0%
6976-07-4 / 2-(4-methylphenyl)guanidine;hydrochloride
Basic Information
CAS
6976-07-4
Multi CAS
No
Molecular Formula
C8H12CLN3
Molecular Weight
185.650000
Exact Mass
185.071975
InChI
InChI=1S/C8H11N3.ClH/c1-6-2-4-7(5-3-6)11-8(9)10;/h2-5H,1H3,(H4,9,10,11);1H
InChIKey
LLODBAHZYHQLNN-UHFFFAOYSA-N
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
53.9
TPSA
64.4
LogP / Solubility
WLOGP
1.32
MLOGP
1.16
XLogP3
1.32
Consensus LogP
1.27
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-2.91
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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