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CAS 7338-78-5 3-(5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YL)-PROPIONIC ACID molecular structure lightbox
CAS RN: 7338-78-5

3-(5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YL)-PROPIONIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250728 100mg In stock Shanghai Inquiry
Batchno.20251111 1g In stock Shanghai Inquiry
Batchno.20250101 250mg In stock Shanghai Inquiry
  • Product code: SSC-182853
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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: 0.25g
  • Available purity: ＞97%
  • 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 7338-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

7338-78-5 / 3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoic acid

Standard CAS: 7338-78-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7338-78-5
Multi CAS
Yes
Molecular Formula
C6H7N3O3S
Molecular Weight
201.210000
Exact Mass
201.020812
InChI
InChI=1S/C6H7N3O3S/c10-4(11)2-1-3-5(12)7-6(13)9-8-3/h1-2H2,(H,10,11)(H2,7,9,12,13)
InChIKey
YWUNWMADAOHUTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
46
TPSA
98.84

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.14
XLogP3
-0.2
Consensus LogP
-0.17
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
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)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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