CAS RN: 205985-97-3
2-METHYLPROPYLHYDRAZINE HYDROCHLORIDE
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.20260202 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS205985-97-3
- Purity/Analytical Methods: >99.0%
205985-97-3 / methyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
Basic Information
CAS
205985-97-3
Multi CAS
No
Molecular Formula
C9H8BrNO3
Molecular Weight
258.070000
Exact Mass
256.968760
SMILES
COC(=O)CC(=O)C1=CC(=CN=C1)Br
InChI
InChI=1S/C9H8BrNO3/c1-14-9(13)3-8(12)6-2-7(10)5-11-4-6/h2,4-5H,3H2,1H3
InChIKey
YVDRZMXIMURBFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
52.9
TPSA
56.26
LogP / Solubility
WLOGP
1.59
MLOGP
1.41
XLogP3
1.2
Consensus LogP
1.4
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-3.17
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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