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: 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
101-01-9 / 1,2,3-triphenylguanidine
1,2,3-Triphenylguanidine | N,N',N''-Triphenylguanidine | Guanidine, N,N',N''-triphenyl-
Basic Information
CAS
101-01-9
Multi CAS
Yes
Molecular Formula
C19H17N3
Molecular Weight
287.400000
Exact Mass
287.142248
SMILES
C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)
InChIKey
FUPAJKKAHDLPAZ-UHFFFAOYSA-N
Synonyms
1,2,3-Triphenylguanidine
N,N',N''-Triphenylguanidine
Guanidine, N,N',N''-triphenyl-
Triphenylguanidine
sym-Triphenylguanidine
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
93.67
TPSA
36.42
LogP / Solubility
WLOGP
4.9
MLOGP
4.32
XLogP3
4.3
Consensus LogP
4.51
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
