CAS RN: 1174764-48-7
ethyl 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.20250816 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1174764-48-7
- Purity/Analytical Methods: >99.0%
1174764-48-7 / ethyl 4-hydroxy-6,7-dimethoxy-8-propan-2-ylnaphthalene-2-carboxylate
Ethyl 4-hydroxy-8-isopropyl-6,7-dimethoxy-2-naphthoate | 2-Naphthalenecarboxylic acid, 4-hydroxy-6,7-dimethoxy-8-(1-methylethyl)-, ethyl ester | ethyl 4-hydroxy-6,7-dimethoxy-8-propan-2-ylnaphthalene-2-carboxylate
Basic Information
CAS
1174764-48-7
Multi CAS
No
Molecular Formula
C18H22O5
Molecular Weight
318.400000
Exact Mass
318.146724
SMILES
CCOC(=O)C1=CC2=C(C(=C(C=C2C(=C1)O)OC)OC)C(C)C
InChI
InChI=1S/C18H22O5/c1-6-23-18(20)11-7-13-12(14(19)8-11)9-15(21-4)17(22-5)16(13)10(2)3/h7-10,19H,6H2,1-5H3
InChIKey
BZYUFDYPLRJCBG-UHFFFAOYSA-N
Synonyms
Ethyl 4-hydroxy-8-isopropyl-6,7-dimethoxy-2-naphthoate
2-Naphthalenecarboxylic acid, 4-hydroxy-6,7-dimethoxy-8-(1-methylethyl)-, ethyl ester
ethyl 4-hydroxy-6,7-dimethoxy-8-propan-2-ylnaphthalene-2-carboxylate
DTXSID10743633
CS-B0391
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.39
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
88.76
TPSA
64.99
LogP / Solubility
WLOGP
3.86
MLOGP
3.41
XLogP3
4.1
Consensus LogP
3.79
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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