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CAS 2007919-84-6 cis-1-(diphenylmethyl)-2-methylazetidine-3-carbonitrile molecular structure lightbox
CAS RN: 2007919-84-6

cis-1-(diphenylmethyl)-2-methylazetidine-3-carbonitrile

  • Product code: SSC-094721
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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 2007919-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2007919-84-6 / (2R,3R)-1-benzhydryl-2-methylazetidine-3-carbonitrile

Standard CAS: 2007919-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2007919-84-6
Multi CAS
No
Molecular Formula
C18H18N2
Molecular Weight
262.300000
Exact Mass
262.146999
SMILES
C[C@@H]1[C@@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C#N
InChI
InChI=1S/C18H18N2/c1-14-17(12-19)13-20(14)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-18H,13H2,1H3/t14-,17-/m1/s1
InChIKey
FWCNLDUDKXUUDF-RHSMWYFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
80
TPSA
27.03

LogP / Solubility

WLOGP
3.62
MLOGP
3.19
XLogP3
3.4
Consensus LogP
3.4
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly 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)
-1.75

Drug-likeness / Medicinal Chemistry

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

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