CAS RN: 168293-10-5
C-Veratroylglycol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250712 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS168293-10-5
- Purity/Analytical Methods: >99.0%
168293-10-5 / 2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
Basic Information
CAS
168293-10-5
Multi CAS
No
Molecular Formula
C10H12O5
Molecular Weight
212.200000
Exact Mass
212.068473
SMILES
COC1=C(C=CC(=C1)C(=O)C(CO)O)O
InChI
InChI=1S/C10H12O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,11-13H,5H2,1H3
InChIKey
UTXNRISXYKZJTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
52.08
TPSA
86.99
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.05
XLogP3
-0.8
Consensus LogP
-0.3
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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