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CAS 153042-42-3 5-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-1-NAPHTHALENESULFONAMIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 153042-42-3

5-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-1-NAPHTHALENESULFONAMIDE HYDROCHLORIDE

  • Product code: SSC-062664
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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: 0.1g
  • 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 153042-42-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

153042-42-3 / 5-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide

Standard CAS: 153042-42-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153042-42-3
Multi CAS
No
Molecular Formula
C17H19N3O3S
Molecular Weight
345.400000
Exact Mass
345.114713
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
InChI
InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3
InChIKey
MJRGSRRZKSJHOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
95.06
TPSA
75.44

LogP / Solubility

WLOGP
3.31
MLOGP
2.93
XLogP3
3.4
Consensus LogP
3.21
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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