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CAS 1349199-73-0 1-Benzyl-6-tosyl-1,6-diazaspiro[3.3]heptan-3-amine molecular structure lightbox
CAS RN: 1349199-73-0

1-Benzyl-6-tosyl-1,6-diazaspiro[3.3]heptan-3-amine

  • Product code: SSC-042759
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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 1349199-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1349199-73-0 / 1-benzyl-6-(4-methylphenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-3-amine

Standard CAS: 1349199-73-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1349199-73-0
Multi CAS
No
Molecular Formula
C19H23N3O2S
Molecular Weight
357.500000
Exact Mass
357.151098
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3(C2)C(CN3CC4=CC=CC=C4)N
InChI
InChI=1S/C19H23N3O2S/c1-15-7-9-17(10-8-15)25(23,24)22-13-19(14-22)18(20)12-21(19)11-16-5-3-2-4-6-16/h2-10,18H,11-14,20H2,1H3
InChIKey
SMOIAYPLVUKPDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.5
TPSA
66.64

LogP / Solubility

WLOGP
1.58
MLOGP
1.41
XLogP3
1.5
Consensus LogP
1.5
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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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