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CAS 76673-34-2 3-(4-methylnaphthalen-1-yl)propanoic acid molecular structure lightbox
CAS RN: 76673-34-2

3-(4-methylnaphthalen-1-yl)propanoic acid

  • Product code: SSC-186112
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 76673-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

76673-34-2 / 3-(4-methylnaphthalen-1-yl)propanoic acid

Standard CAS: 76673-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76673-34-2
Multi CAS
No
Molecular Formula
C14H14O2
Molecular Weight
214.260000
Exact Mass
214.099380
InChI
InChI=1S/C14H14O2/c1-10-6-7-11(8-9-14(15)16)13-5-3-2-4-12(10)13/h2-7H,8-9H2,1H3,(H,15,16)
InChIKey
NLJSIZYZZYSWLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.64
TPSA
37.3

LogP / Solubility

WLOGP
3.17
MLOGP
2.79
XLogP3
3.8
Consensus LogP
3.25
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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