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CAS 1630906-81-8 4-(dibenzylamino)oxane-4-carbonitrile molecular structure lightbox
CAS RN: 1630906-81-8

4-(dibenzylamino)oxane-4-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-070761
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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 1630906-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1630906-81-8 / 4-(dibenzylamino)oxane-4-carbonitrile

Standard CAS: 1630906-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630906-81-8
Multi CAS
No
Molecular Formula
C20H22N2O
Molecular Weight
306.400000
Exact Mass
306.173213
SMILES
C1COCCC1(C#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H22N2O/c21-17-20(11-13-23-14-12-20)22(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10H,11-16H2
InChIKey
JLOOYLXTIXLRJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
90.53
TPSA
36.26

LogP / Solubility

WLOGP
3.76
MLOGP
3.32
XLogP3
3.2
Consensus LogP
3.43
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

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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