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CAS 131257-07-3 7-ACT molecular structure lightbox
CAS RN: 131257-07-3

7-ACT

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 250mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-038003
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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: 10g
  • 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 131257-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

131257-07-3 / sodium (6R,7R)-7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Standard CAS: 131257-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131257-07-3
Multi CAS
No
Molecular Formula
C12H12N5NaO5S2
Molecular Weight
393.400000
Exact Mass
393.017755
SMILES
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)[O-].[Na+]
InChI
InChI=1S/C12H13N5O5S2.Na/c1-16-12(14-7(18)8(19)15-16)24-3-4-2-23-10-5(13)9(20)17(10)6(4)11(21)22;/h5,10H,2-3,13H2,1H3,(H,15,19)(H,21,22);/q;+1/p-1/t5-,10-;/m1./s1
InChIKey
PJJRLUBHVGIDHN-FURYJHRSSA-M

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
2
Molar refractivity
83.92
TPSA
154.21

LogP / Solubility

WLOGP
-6.19
MLOGP
-5.42
XLogP3
-6.19
Consensus LogP
-5.93
Log S (ESOL)
1.71
Class (ESOL)
Highly soluble
Log S (Ali)
1.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.44
Class (SILICOS-IT)
Highly 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)
-9.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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