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CAS 881005-36-3 4-(4-morpholinylcarbonyl)Benzenesulfonyl chloride molecular structure lightbox
CAS RN: 881005-36-3

4-(4-morpholinylcarbonyl)Benzenesulfonyl chloride

  • Product code: SSC-198547
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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 881005-36-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

881005-36-3 / 4-(morpholine-4-carbonyl)benzenesulfonyl chloride

Standard CAS: 881005-36-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881005-36-3
Multi CAS
No
Molecular Formula
C11H12CLNO4S
Molecular Weight
289.740000
Exact Mass
289.017557
InChI
InChI=1S/C11H12ClNO4S/c12-18(15,16)10-3-1-9(2-4-10)11(14)13-5-7-17-8-6-13/h1-4H,5-8H2
InChIKey
ALPHHUKKEOVCOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
66.2
TPSA
63.68

LogP / Solubility

WLOGP
1.09
MLOGP
0.97
XLogP3
1
Consensus LogP
1.02
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72

Drug-likeness / Medicinal Chemistry

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

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