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CAS 21626-70-0 4-(MORPHOLINE-4-SULFONYL)-PHENYLAMINE molecular structure lightbox
CAS RN: 21626-70-0

4-(MORPHOLINE-4-SULFONYL)-PHENYLAMINE

  • Product code: SSC-103631
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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 21626-70-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

21626-70-0 / 4-morpholin-4-ylsulfonylaniline

Standard CAS: 21626-70-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21626-70-0
Multi CAS
No
Molecular Formula
C10H14N2O3S
Molecular Weight
242.300000
Exact Mass
242.072513
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H14N2O3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8,11H2
InChIKey
FTKHPQFFQRKOJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.43
TPSA
72.63

LogP / Solubility

WLOGP
0.29
MLOGP
0.26
Consensus LogP
0.18
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
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)
-3.99

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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