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CAS 129-89-5 [(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]methanesulfonic acid sodium salt molecular structure lightbox
CAS RN: 129-89-5

[(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]methanesulfonic acid sodium salt

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260517 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-036191
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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 129-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

129-89-5 / sodium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonate

Standard CAS: 129-89-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129-89-5
Multi CAS
No
Molecular Formula
C12H14N3NaO4S
Molecular Weight
319.310000
Exact Mass
319.060271
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C12H15N3O4S.Na/c1-9-11(13-8-20(17,18)19)12(16)15(14(9)2)10-6-4-3-5-7-10;/h3-7,13H,8H2,1-2H3,(H,17,18,19);/q;+1/p-1
InChIKey
ZFDPAZDODACYOG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
73.93
TPSA
96.16

LogP / Solubility

WLOGP
-2.6
MLOGP
-2.27
XLogP3
-2.6
Consensus LogP
-2.49
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.06
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-6.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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