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CAS 136465-81-1 (S)-N-tert-Butyldecahydroisoquinoline-3-carboxamide molecular structure lightbox
CAS RN: 136465-81-1

(S)-N-tert-Butyldecahydroisoquinoline-3-carboxamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260226 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-045470
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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: 25g
  • 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 136465-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

136465-81-1 / (3S,4aS,8aR)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-3-carboxamide

Standard CAS: 136465-81-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
136465-81-1
Multi CAS
No
Molecular Formula
C14H27N2O+
Molecular Weight
239.380000
Exact Mass
239.212338
SMILES
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[NH2+]1
InChI
InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/p+1/t10-,11-,12-/m0/s1
InChIKey
UPZBXVBPICTBDP-SRVKXCTJSA-O

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
68.54
TPSA
45.71

LogP / Solubility

WLOGP
1.04
MLOGP
0.92
XLogP3
2.6
Consensus LogP
1.52
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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