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CAS 102691-93-0 (S)-(+)-2-Methoxy-2-(1-naphthyl)propionic Acid molecular structure lightbox
CAS RN: 102691-93-0

(S)-(+)-2-Methoxy-2-(1-naphthyl)propionic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-003999
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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: 0.25g, 1g
  • Available purity: ≥97%
  • 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 102691-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

102691-93-0 / (2S)-2-methoxy-2-naphthalen-1-ylpropanoic acid

(s)-2-methoxy-2-(1-naphthyl)propanoic acid | RefChem:407606 | (S)-(+)-2-Methoxy-2-(1-naphthyl)propionic Acid

Standard CAS: 102691-93-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102691-93-0
Multi CAS
Yes
Molecular Formula
C14H14O3
Molecular Weight
230.260000
Exact Mass
230.094294
SMILES
C[C@](C1=CC=CC2=CC=CC=C21)(C(=O)O)OC
InChI
InChI=1S/C14H14O3/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,15,16)/t14-/m0/s1
InChIKey
YVWMPILNFZOQSZ-AWEZNQCLSA-N
Synonyms
(s)-2-methoxy-2-(1-naphthyl)propanoic acid RefChem:407606 (S)-(+)-2-Methoxy-2-(1-naphthyl)propionic Acid (s)-2-methoxy-2-(1-naphthyl)propionic acid MFCD03093634

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.94
TPSA
46.53

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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