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CAS 1197193-29-5 2-(Methylsulfonyl)-4-morpholinobenzaldehyde molecular structure lightbox
CAS RN: 1197193-29-5

2-(Methylsulfonyl)-4-morpholinobenzaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-020432
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 5g, 1g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1197193-29-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shanghai Inquiry
0.1g >97% 0 Out of Stock Beijing Inquiry

1197193-29-5 / 2-methylsulfonyl-4-morpholin-4-ylbenzaldehyde

2-(methylsulfonyl)-4-morpholinobenzaldehyde | MFCD13191595 | 2-methylsulfonyl-4-morpholin-4-ylbenzaldehyde

Standard CAS: 1197193-29-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197193-29-5
Multi CAS
No
Molecular Formula
C12H15NO4S
Molecular Weight
269.320000
Exact Mass
269.072179
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)N2CCOCC2)C=O
InChI
InChI=1S/C12H15NO4S/c1-18(15,16)12-8-11(3-2-10(12)9-14)13-4-6-17-7-5-13/h2-3,8-9H,4-7H2,1H3
InChIKey
PFUGBZLMKRXOIV-UHFFFAOYSA-N
Synonyms
2-(methylsulfonyl)-4-morpholinobenzaldehyde MFCD13191595 2-methylsulfonyl-4-morpholin-4-ylbenzaldehyde 2-METHANESULFONYL-4-(MORPHOLIN-4-YL)BENZALDEHYDE Benzaldehyde, 2-(methylsulfonyl)-4-(4-morpholinyl)-

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
67.97
TPSA
63.68

LogP / Solubility

WLOGP
0.74
MLOGP
0.66
XLogP3
0.4
Consensus LogP
0.6
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-3.84

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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