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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
854036-09-2 / 3-(azepan-1-yl)-2-methylpropanehydrazide
Basic Information
CAS
854036-09-2
Multi CAS
No
Molecular Formula
C10H21N3O
Molecular Weight
199.290000
Exact Mass
199.168462
InChI
InChI=1S/C10H21N3O/c1-9(10(14)12-11)8-13-6-4-2-3-5-7-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKey
DJCWNGJDRJTBNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.4
TPSA
58.36
LogP / Solubility
WLOGP
0.49
MLOGP
0.43
XLogP3
0.5
Consensus LogP
0.47
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
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)
-3.59
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
2
Customers Also Viewed
-
Norcaesalpinin E
- CAS RN: 854038-96-3
- Product Code: starshine_CAS854038-96-3
- Purity/Analytical method: >99.0%
-
-
1-((2-(Trimethylsilyl)Ethoxy)Methyl)-2-Bromo-1H-Imidazole-4-Carbonitrile
- CAS RN: 854044-51-2
- Product Code: SSC-193766
-
ethyl 4-cyano-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazole-2-carboxylate
- CAS RN: 854044-52-3
- Product Code: SSC-193767
-
Cyclohexyl JohnPhos AuCl
- CAS RN: 854045-92-4
- Product Code: starshine_CAS854045-92-4
- Purity/Analytical method: >99.0%
-
(2-BIPHENYL)DI-TERT-BUTYLPHOSPHINE GOLD&
- CAS RN: 854045-93-5
- Product Code: starshine_CAS854045-93-5
- Purity/Analytical method: >99.0%
![CAS 854044-52-3 ethyl 4-cyano-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazole-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/854044-52-3.gif)
