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CAS 1131-63-1 5,6,7,8-TETRAHYDRO-2-NAPHTHOIC ACID molecular structure lightbox
CAS RN: 1131-63-1

5,6,7,8-TETRAHYDRO-2-NAPHTHOIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260217 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-013284
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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: ＞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 1131-63-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1131-63-1 / 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

5,6,7,8-Tetrahydro-2-naphthoic acid | 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid | 1,2,3,4-Tetrahydronaphthalene-6-carboxylic acid

Standard CAS: 1131-63-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1131-63-1
Multi CAS
Yes
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
SMILES
C1CCC2=C(C1)C=CC(=C2)C(=O)O
InChI
InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)
InChIKey
RSWXAGBBPCRION-UHFFFAOYSA-N
Synonyms
5,6,7,8-Tetrahydro-2-naphthoic acid 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid 1,2,3,4-Tetrahydronaphthalene-6-carboxylic acid 2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro- B84YP7QPC8

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.04
TPSA
37.3

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2.8
Consensus LogP
2.35
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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