CAS RN: 848031-94-7
“threo-1-(4-Hydroxy-3-Methoxyphenyl)propane-1,2-diol”
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251029 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS848031-94-7
- Purity/Analytical Methods: >99.0%
848031-94-7 / (1S,2S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
Basic Information
CAS
848031-94-7
Multi CAS
Yes
Molecular Formula
C10H14O4
Molecular Weight
198.220000
Exact Mass
198.089209
InChI
InChI=1S/C10H14O4/c1-6(11)10(13)7-3-4-8(12)9(5-7)14-2/h3-6,10-13H,1-2H3/t6-,10+/m0/s1
InChIKey
PZKYCBMLUGVAGH-QUBYGPBYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
51.3
TPSA
69.92
LogP / Solubility
WLOGP
0.81
MLOGP
0.72
XLogP3
-0.2
Consensus LogP
0.44
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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