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CAS 380432-29-1 3,4-DIAMINO-N-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 380432-29-1

3,4-DIAMINO-N-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-BENZENESULFONAMIDE

  • Product code: SSC-145525
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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 380432-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

380432-29-1 / 3,4-diamino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide

Standard CAS: 380432-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
380432-29-1
Multi CAS
No
Molecular Formula
C17H19N5O3S
Molecular Weight
373.400000
Exact Mass
373.120861
InChI
InChI=1S/C17H19N5O3S/c1-11-16(17(23)22(21(11)2)12-6-4-3-5-7-12)20-26(24,25)13-8-9-14(18)15(19)10-13/h3-10,20H,18-19H2,1-2H3
InChIKey
FBIVHNGOSFMCPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
3
Molar refractivity
101.82
TPSA
125.14

LogP / Solubility

WLOGP
1.45
MLOGP
1.3
XLogP3
1.4
Consensus LogP
1.38
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.97

Drug-likeness / Medicinal Chemistry

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

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