[email protected]
CAS 1086395-71-2 2-benzyl-2,7-diazaspiro[4.5]decane molecular structure lightbox
CAS RN: 1086395-71-2

2-benzyl-2,7-diazaspiro[4.5]decane

  • Product code: SSC-009944
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1086395-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry

1086395-71-2 / 2-benzyl-2,9-diazaspiro[4.5]decane

2-benzyl-2,7-diazaspiro[4.5]decane | MFCD11223500 | 2-benzyl-2,9-diazaspiro[4.5]decane

Standard CAS: 1086395-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1086395-71-2
Multi CAS
No
Molecular Formula
C15H22N2
Molecular Weight
230.350000
Exact Mass
230.178299
SMILES
C1CC2(CCN(C2)CC3=CC=CC=C3)CNC1
InChI
InChI=1S/C15H22N2/c1-2-5-14(6-3-1)11-17-10-8-15(13-17)7-4-9-16-12-15/h1-3,5-6,16H,4,7-13H2
InChIKey
YLMCYUHQYITSIZ-UHFFFAOYSA-N
Synonyms
2-benzyl-2,7-diazaspiro[4.5]decane MFCD11223500 2-benzyl-2,9-diazaspiro[4.5]decane 2,7-Diazaspiro[4.5]decane, 2-(phenylmethyl)- DTXSID90676399

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.87
TPSA
15.27

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2.1
Consensus LogP
2.12
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.52

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us