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CAS 10470-82-3 2-(2-NAPHTHYLOXY)PROPANOIC ACID molecular structure lightbox
CAS RN: 10470-82-3

2-(2-NAPHTHYLOXY)PROPANOIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS10470-82-3
  • Purity/Analytical Methods: >99.0%
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10470-82-3 / 2-naphthalen-2-yloxypropanoic acid

2-(2-Naphthyloxy)propionic acid | RefChem:1060923 | 2-(2-naphthyloxy)propanoic acid

Standard CAS: 10470-82-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10470-82-3
Multi CAS
Yes
Molecular Formula
C13H12O3
Molecular Weight
216.230000
Exact Mass
216.078644
SMILES
CC(C(=O)O)OC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H12O3/c1-9(13(14)15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,14,15)
InChIKey
HMIVVAPMRQMNAK-UHFFFAOYSA-N
Synonyms
2-(2-Naphthyloxy)propionic acid RefChem:1060923 2-(2-naphthyloxy)propanoic acid 2-(naphthalen-2-yloxy)propanoic acid 2-naphthalen-2-yloxypropanoic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.67
TPSA
46.53

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
3.5
Consensus LogP
2.85
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

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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