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CAS 100382-00-1 4-Benzyloxy-2-cyanopyridine molecular structure lightbox
CAS RN: 100382-00-1

4-Benzyloxy-2-cyanopyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-000924
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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: ＞97%
  • 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 100382-00-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

100382-00-1 / 4-phenylmethoxypyridine-2-carbonitrile

4-(Benzyloxy)picolinonitrile | MFCD17252689 | 4-phenylmethoxypyridine-2-carbonitrile

Standard CAS: 100382-00-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100382-00-1
Multi CAS
No
Molecular Formula
C13H10N2O
Molecular Weight
210.230000
Exact Mass
210.079313
SMILES
C1=CC=C(C=C1)COC2=CC(=NC=C2)C#N
InChI
InChI=1S/C13H10N2O/c14-9-12-8-13(6-7-15-12)16-10-11-4-2-1-3-5-11/h1-8H,10H2
InChIKey
KHDORVLVNIOXJY-UHFFFAOYSA-N
Synonyms
4-(Benzyloxy)picolinonitrile MFCD17252689 4-phenylmethoxypyridine-2-carbonitrile 2-Pyridinecarbonitrile, 4-(phenylmethoxy)- 4-(Benzyloxy)pyridine-2-carbonitrile

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
59.73
TPSA
45.91

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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