CAS RN: 74150-02-0
6-(3,4-diaminophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
- Product code: SSC-183558
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
74150-02-0 / 3-(3,4-diaminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Basic Information
CAS
74150-02-0
Multi CAS
No
Molecular Formula
C11H14N4O
Molecular Weight
218.260000
Exact Mass
218.116761
InChI
InChI=1S/C11H14N4O/c1-6-4-10(16)14-15-11(6)7-2-3-8(12)9(13)5-7/h2-3,5-6H,4,12-13H2,1H3,(H,14,16)
InChIKey
WXSDHOPIGKDWTF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
63.73
TPSA
93.5
LogP / Solubility
WLOGP
0.71
MLOGP
0.63
XLogP3
0.1
Consensus LogP
0.48
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
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
No
Synthetic Accessibility
2
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