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CAS 1197193-19-3 4-(Methylsulfonyl)-3-Morpholinobenzoic Acid molecular structure lightbox
CAS RN: 1197193-19-3

4-(Methylsulfonyl)-3-Morpholinobenzoic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020423
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 1197193-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g -- 3 In Stock Beijing Inquiry
5g >95% 3 In Stock Hong Kong Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g -- 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry

1197193-19-3 / 4-methylsulfonyl-3-morpholin-4-ylbenzoic acid

4-(Methylsulfonyl)-3-morpholinobenzoic Acid | MFCD13191608 | 4-methylsulfonyl-3-morpholin-4-ylbenzoic acid

Standard CAS: 1197193-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197193-19-3
Multi CAS
No
Molecular Formula
C12H15NO5S
Molecular Weight
285.320000
Exact Mass
285.067094
SMILES
CS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)N2CCOCC2
InChI
InChI=1S/C12H15NO5S/c1-19(16,17)11-3-2-9(12(14)15)8-10(11)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKey
KGBOPGFDGBEMSK-UHFFFAOYSA-N
Synonyms
4-(Methylsulfonyl)-3-morpholinobenzoic Acid MFCD13191608 4-methylsulfonyl-3-morpholin-4-ylbenzoic acid Benzoic acid, 4-(methylsulfonyl)-3-(4-morpholinyl)- 4-METHANESULFONYL-3-(MORPHOLIN-4-YL)BENZOIC ACID

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.54
TPSA
83.91

LogP / Solubility

WLOGP
0.62
MLOGP
0.56
XLogP3
0.4
Consensus LogP
0.53
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02

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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