CAS RN: 150779-71-8
SDZ 281 977
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.20250409 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS150779-71-8
- Purity/Analytical Methods: >99.0%
150779-71-8 / methyl 5-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxybenzoate
Basic Information
CAS
150779-71-8
Multi CAS
No
Molecular Formula
C18H20O5
Molecular Weight
316.300000
Exact Mass
316.131074
SMILES
COC1=CC(=C(C=C1)OC)CCC2=CC(=C(C=C2)O)C(=O)OC
InChI
InChI=1S/C18H20O5/c1-21-14-7-9-17(22-2)13(11-14)6-4-12-5-8-16(19)15(10-12)18(20)23-3/h5,7-11,19H,4,6H2,1-3H3
InChIKey
GZOFTOHENYHNMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
86.4
TPSA
64.99
LogP / Solubility
WLOGP
2.98
MLOGP
2.64
XLogP3
4.1
Consensus LogP
3.24
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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