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CAS 84236-26-0 (S)-5-bromo-6-methoxy-alpha-methylnaphthalene-1-acetic acid molecular structure lightbox
CAS RN: 84236-26-0

(S)-5-bromo-6-methoxy-alpha-methylnaphthalene-1-acetic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260525 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS84236-26-0
  • Purity/Analytical Methods: >99.0%
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84236-26-0 / 2-(5-bromo-6-methoxynaphthalen-2-yl)propanoic acid

Standard CAS: 84236-26-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84236-26-0
Multi CAS
Yes
Molecular Formula
C14H13BRO3
Molecular Weight
309.150000
Exact Mass
308.004810
InChI
InChI=1S/C14H13BrO3/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1
InChIKey
JZRWXNBIQCMXSU-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.25
TPSA
46.53

LogP / Solubility

WLOGP
3.8
MLOGP
3.36
XLogP3
3.9
Consensus LogP
3.69
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
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)
-1.91

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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