![CAS 174422-72-1 4-[N-MALEIMIDOMETHYL]CYCLOHEXANE-1-CARBOXYLHYDRAZIDE HCL 1/2 DIOXANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6306102.gif)
CAS RN: 174422-72-1
4-[N-MALEIMIDOMETHYL]CYCLOHEXANE-1-CARBOXYLHYDRAZIDE HCL 1/2 DIOXANE
- Product code: SSC-076517
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
174422-72-1 / 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride
Basic Information
CAS
174422-72-1
Multi CAS
No
Molecular Formula
C12H18ClN3O3
Molecular Weight
287.740000
Exact Mass
287.103669
SMILES
C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)NN.Cl
InChI
InChI=1S/C12H17N3O3.ClH/c13-14-12(18)9-3-1-8(2-4-9)7-15-10(16)5-6-11(15)17;/h5-6,8-9H,1-4,7,13H2,(H,14,18);1H
InChIKey
CKGAFBJFAXITJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.89
TPSA
92.5
LogP / Solubility
WLOGP
0.13
MLOGP
0.12
XLogP3
0.13
Consensus LogP
0.13
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
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)
-4.38
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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