[email protected]
CAS 1138-14-3 1,3-Propanedione,1,3-di-2-thienyl- molecular structure lightbox
CAS RN: 1138-14-3

1,3-Propanedione,1,3-di-2-thienyl-

  • Product code: SSC-013789
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1138-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry

1138-14-3 / 1,3-dithiophen-2-ylpropane-1,3-dione

1,3-di(thiophen-2-yl)propane-1,3-dione | DTXSID10292131 | RefChem:218257

Standard CAS: 1138-14-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1138-14-3
Multi CAS
Yes
Molecular Formula
C11H8O2S2
Molecular Weight
236.300000
Exact Mass
235.996572
SMILES
C1=CSC(=C1)C(=O)CC(=O)C2=CC=CS2
InChI
InChI=1S/C11H8O2S2/c12-8(10-3-1-5-14-10)7-9(13)11-4-2-6-15-11/h1-6H,7H2
InChIKey
RYEKDXOACFEXKG-UHFFFAOYSA-N
Synonyms
1,3-di(thiophen-2-yl)propane-1,3-dione DTXSID10292131 RefChem:218257 DTXCID00243273 1,3-dithiophen-2-ylpropane-1,3-dione

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
61.92
TPSA
34.14

LogP / Solubility

WLOGP
3.27
MLOGP
2.88
XLogP3
3.1
Consensus LogP
3.08
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

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

Customers Also Viewed

Get In Touch

Contact Us