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CAS 164906-71-2 (2S,3S)-1-benzhydryl-2-methyl-azetidin-3-amine molecular structure lightbox
CAS RN: 164906-71-2

(2S,3S)-1-benzhydryl-2-methyl-azetidin-3-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251016 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-072069
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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: 0.1g, 0.25g, 1g
  • Available purity: >96%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 164906-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >96% 1 In Stock Hong Kong Inquiry
0.25g >96% 1 In Stock Beijing Inquiry
1g >96% 1 In Stock Shenzhen Inquiry

164906-71-2 / (2S,3S)-1-benzhydryl-2-methylazetidin-3-amine

Standard CAS: 164906-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
164906-71-2
Multi CAS
No
Molecular Formula
C17H20N2
Molecular Weight
252.350000
Exact Mass
252.162649
SMILES
C[C@H]1[C@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C17H20N2/c1-13-16(18)12-19(13)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-17H,12,18H2,1H3/t13-,16-/m0/s1
InChIKey
CJCQBRZYAQTEOO-BBRMVZONSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.87
TPSA
29.26

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
2.8
Consensus LogP
2.7
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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