CAS RN: 22644-28-6
(R)-2-Methyl-1,4-butanediol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251118 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS22644-28-6
- Purity/Analytical Methods: >99.0%
22644-28-6 / 2-methylbutane-1,4-diol
Basic Information
CAS
22644-28-6
Multi CAS
No
Molecular Formula
C5H12O2
Molecular Weight
104.150000
Exact Mass
104.083730
SMILES
CC(CCO)CO
InChI
InChI=1S/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3/t5-/m1/s1
InChIKey
MWCBGWLCXSUTHK-RXMQYKEDSA-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
27.95
TPSA
40.46
LogP / Solubility
MLOGP
-0.01
Consensus LogP
0.0000
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
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)
-3.36
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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