CAS RN: 15657-58-6
2-methyl-1,4-diaminobutane
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.20250424 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS15657-58-6
- Purity/Analytical Methods: >99.0%
15657-58-6 / 2-methylbutane-1,4-diamine
Basic Information
CAS
15657-58-6
Multi CAS
No
Molecular Formula
C5H14N2
Molecular Weight
102.180000
Exact Mass
102.115698
SMILES
CC(CCN)CN
InChI
InChI=1S/C5H14N2/c1-5(4-7)2-3-6/h5H,2-4,6-7H2,1H3
InChIKey
GGQJPAQXCYUEKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
31.89
TPSA
52.04
LogP / Solubility
WLOGP
-0.07
MLOGP
-0.07
XLogP3
-0.5
Consensus LogP
-0.21
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
Class (SILICOS-IT)
Very 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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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