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CAS 374104-63-9 4-CHLORO-5-P-TOLYL-THIENO[2,3-D]PYRIMIDINE molecular structure lightbox
CAS RN: 374104-63-9

4-CHLORO-5-P-TOLYL-THIENO[2,3-D]PYRIMIDINE

  • Product code: SSC-144721
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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, 10g
  • Available purity: >97%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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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 374104-63-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g -- 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

374104-63-9 / 4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine

Standard CAS: 374104-63-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
374104-63-9
Multi CAS
No
Molecular Formula
C13H9CLN2S
Molecular Weight
260.740000
Exact Mass
260.017497
InChI
InChI=1S/C13H9ClN2S/c1-8-2-4-9(5-3-8)10-6-17-13-11(10)12(14)15-7-16-13/h2-7H,1H3
InChIKey
IJQIOVCRRZEROH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
72.6
TPSA
25.78

LogP / Solubility

WLOGP
4.32
MLOGP
3.81
XLogP3
4.5
Consensus LogP
4.21
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24

Drug-likeness / Medicinal Chemistry

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

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