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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
89853-71-4 / methyl 6-hydrazinylpyridine-3-carboxylate
Basic Information
CAS
89853-71-4
Multi CAS
No
Molecular Formula
C7H9N3O2
Molecular Weight
167.170000
Exact Mass
167.069477
InChI
InChI=1S/C7H9N3O2/c1-12-7(11)5-2-3-6(10-8)9-4-5/h2-4H,8H2,1H3,(H,9,10)
InChIKey
WLNMKEVJMIJKLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
43.39
TPSA
77.24
LogP / Solubility
WLOGP
0.15
MLOGP
0.13
XLogP3
0.3
Consensus LogP
0.19
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-3.63
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
1.5
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Cyclopentanamine, N,1-dimethyl-, hydrochloride (1:1)
- CAS RN: 89854-72-8
- Product Code: starshine_CAS89854-72-8
- Purity/Analytical method: >99.0%
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