CAS RN: 96503-30-9
(R)-2-HYDROXY-PROPIONALDEHYDE DIMETHOXYACETAL
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.20250514 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS96503-30-9
- Purity/Analytical Methods: >99.0%
96503-30-9 / 1,1-dimethoxypropan-2-ol
Basic Information
CAS
96503-30-9
Multi CAS
Yes
Molecular Formula
C5H12O3
Molecular Weight
120.150000
Exact Mass
120.078644
InChI
InChI=1S/C5H12O3/c1-4(6)5(7-2)8-3/h4-6H,1-3H3/t4-/m1/s1
InChIKey
PRAYXKGWSGUXQK-SCSAIBSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
29.49
TPSA
38.69
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.02
XLogP3
-0.2
Consensus LogP
-0.08
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
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)
-3.46
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
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