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CAS 89617-86-7 (S)-5-Chloro-6-Methoxy-α-Methyl-2-naphthaleneacetic Acid molecular structure lightbox
CAS RN: 89617-86-7

(S)-5-Chloro-6-Methoxy-α-Methyl-2-naphthaleneacetic Acid

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260510 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250114 100mg In stock Shanghai Inquiry
Batchno.20250727 1g In stock Shanghai Inquiry
Batchno.20250929 250mg In stock Shanghai Inquiry
  • Product code: SSC-201648
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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: 1g
  • 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 89617-86-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

89617-86-7 / 2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid

Standard CAS: 89617-86-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89617-86-7
Multi CAS
Yes
Molecular Formula
C14H13CLO3
Molecular Weight
264.700000
Exact Mass
264.055322
InChI
InChI=1S/C14H13ClO3/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
RVVAYDHIVLCPBC-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
71.56
TPSA
46.53

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
3.8
Consensus LogP
3.58
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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)
-1.71

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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