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CAS 91908-44-0 N-(2,2-Diethoxyethyl)Isonicotinamide molecular structure lightbox
CAS RN: 91908-44-0

N-(2,2-Diethoxyethyl)Isonicotinamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-205404
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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: 5g
  • 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 91908-44-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

91908-44-0 / N-(2,2-diethoxyethyl)pyridine-4-carboxamide

Standard CAS: 91908-44-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91908-44-0
Multi CAS
No
Molecular Formula
C12H18N2O3
Molecular Weight
238.280000
Exact Mass
238.131742
InChI
InChI=1S/C12H18N2O3/c1-3-16-11(17-4-2)9-14-12(15)10-5-7-13-8-6-10/h5-8,11H,3-4,9H2,1-2H3,(H,14,15)
InChIKey
URDUXZWZKAAYQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.61
TPSA
60.45

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
0.7
Consensus LogP
0.99
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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