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CAS 1246509-73-8 (S)-METHYL 8-AMINO-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLATE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1246509-73-8

(S)-METHYL 8-AMINO-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLATE HYDROCHLORIDE

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250223 100mg Out of stock 8-10 business days Inquiry
Batchno.20260117 250mg Out of stock Inquiry
  • Product code: SSC-028683
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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: 0.1g
  • 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 1246509-73-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1246509-73-8 / methyl (8S)-8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride

Standard CAS: 1246509-73-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246509-73-8
Multi CAS
No
Molecular Formula
C12H16ClNO2
Molecular Weight
241.710000
Exact Mass
241.086956
SMILES
COC(=O)C1=CC2=C(CCC[C@@H]2N)C=C1.Cl
InChI
InChI=1S/C12H15NO2.ClH/c1-15-12(14)9-6-5-8-3-2-4-11(13)10(8)7-9;/h5-7,11H,2-4,13H2,1H3;1H/t11-;/m0./s1
InChIKey
WHSIBJZKBMEFNO-MERQFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.9
TPSA
52.32

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.23
Consensus LogP
2.14
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-2.61

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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