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CAS 21447-56-3 2-METHYL-5-(MORPHOLINE-4-SULFONYL)-PHENYLAMINE molecular structure lightbox
CAS RN: 21447-56-3

2-METHYL-5-(MORPHOLINE-4-SULFONYL)-PHENYLAMINE

  • Product code: SSC-102821
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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 21447-56-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

21447-56-3 / 2-methyl-5-morpholin-4-ylsulfonylaniline

Standard CAS: 21447-56-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21447-56-3
Multi CAS
No
Molecular Formula
C11H16N2O3S
Molecular Weight
256.320000
Exact Mass
256.088164
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N
InChI
InChI=1S/C11H16N2O3S/c1-9-2-3-10(8-11(9)12)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKey
OGFHXMSWYWAUDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.17
TPSA
72.63

LogP / Solubility

WLOGP
0.6
MLOGP
0.53
XLogP3
0.4
Consensus LogP
0.51
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-3.86

Drug-likeness / Medicinal Chemistry

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

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