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CAS 675126-27-9 2-Amino-4-Methoxy-5-(3-Morpholinopropoxy)benzonitrile molecular structure lightbox
CAS RN: 675126-27-9

2-Amino-4-Methoxy-5-(3-Morpholinopropoxy)benzonitrile

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260528 1g In stock Inquiry
Batchno.20250214 250mg In stock Inquiry
Batchno.20260305 25g In stock Inquiry
Batchno.20250426 5g In stock Inquiry
  • Product code: SSC-177202
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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: ＞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 675126-27-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

675126-27-9 / 2-amino-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzonitrile

Standard CAS: 675126-27-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
675126-27-9
Multi CAS
No
Molecular Formula
C15H21N3O3
Molecular Weight
291.350000
Exact Mass
291.158292
InChI
InChI=1S/C15H21N3O3/c1-19-14-10-13(17)12(11-16)9-15(14)21-6-2-3-18-4-7-20-8-5-18/h9-10H,2-8,17H2,1H3
InChIKey
DSPAUOALMSIBJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
79.49
TPSA
80.74

LogP / Solubility

WLOGP
1.25
MLOGP
1.11
XLogP3
1.5
Consensus LogP
1.29
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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