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CAS 1265966-31-1 S49076 HCl molecular structure lightbox
CAS RN: 1265966-31-1

S49076 HCl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 10mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-033640
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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: ≥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 1265966-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1265966-31-1 / 3-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride

Standard CAS: 1265966-31-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1265966-31-1
Multi CAS
No
Molecular Formula
C22H23ClN4O4S
Molecular Weight
475.000000
Exact Mass
474.112854
SMILES
C1COCCN1CC2=CNC(=C2)/C=C\3/C4=C(C=CC(=C4)CN5C(=O)CSC5=O)NC3=O.Cl
InChI
InChI=1S/C22H22N4O4S.ClH/c27-20-13-31-22(29)26(20)12-14-1-2-19-17(8-14)18(21(28)24-19)9-16-7-15(10-23-16)11-25-3-5-30-6-4-25;/h1-2,7-10,23H,3-6,11-13H2,(H,24,28);1H/b18-9-;
InChIKey
FPSAJUOIYZSJJA-NAIZSXBXSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
11
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
125.48
TPSA
94.74

LogP / Solubility

WLOGP
2.96
MLOGP
2.63
XLogP3
2.96
Consensus LogP
2.85
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.52

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
3.5

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