CAS RN: 3842-53-3
4-Chloro-6-phenyl-1,3,5-triazin-2-amine
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.20250210 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3842-53-3
- Purity/Analytical Methods: >99.0%
3842-53-3 / 4-chloro-6-phenyl-1,3,5-triazin-2-amine
Basic Information
CAS
3842-53-3
Multi CAS
Yes
Molecular Formula
C9H7CLN4
Molecular Weight
206.630000
Exact Mass
206.035924
InChI
InChI=1S/C9H7ClN4/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13,14)
InChIKey
UTSOANOTPZSYJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.69
TPSA
64.69
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
2.7
Consensus LogP
2.01
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 3854-04-4
- Product Code: starshine_CAS3854-04-4
- Purity/Analytical method: >99.0%
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