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CAS RN: 1415564-88-3
Methyl 4-hydroxy-8-isopropyl-6,7-diMethoxy-2-naphthoate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260629 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1415564-88-3
- Purity/Analytical Methods: >99.0%
1415564-88-3 / methyl 4-hydroxy-6,7-dimethoxy-8-propan-2-ylnaphthalene-2-carboxylate
Basic Information
CAS
1415564-88-3
Multi CAS
No
Molecular Formula
C17H20O5
Molecular Weight
304.340000
Exact Mass
304.131074
SMILES
CC(C)C1=C2C=C(C=C(C2=CC(=C1OC)OC)O)C(=O)OC
InChI
InChI=1S/C17H20O5/c1-9(2)15-12-6-10(17(19)22-5)7-13(18)11(12)8-14(20-3)16(15)21-4/h6-9,18H,1-5H3
InChIKey
WAAIMYGKSJEBHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
84.15
TPSA
64.99
LogP / Solubility
WLOGP
3.47
MLOGP
3.07
XLogP3
3.7
Consensus LogP
3.41
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
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)
-2.11
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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