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CAS 855308-67-7 4-(3-CHLORO-2-THIENYL)-2-PYRIMIDINAMINE molecular structure lightbox
CAS RN: 855308-67-7

4-(3-CHLORO-2-THIENYL)-2-PYRIMIDINAMINE

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 10mg In stock Inquiry
Batchno.20250926 1g In stock Inquiry
Batchno.20260422 250mg In stock Inquiry
Batchno.20250518 50mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250209 10mg / 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS855308-67-7
  • Purity/Analytical Methods: >99.0%
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855308-67-7 / 4-(3-chlorothiophen-2-yl)pyrimidin-2-amine

Standard CAS: 855308-67-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
855308-67-7
Multi CAS
No
Molecular Formula
C8H6CLN3S
Molecular Weight
211.670000
Exact Mass
210.997096
InChI
InChI=1S/C8H6ClN3S/c9-5-2-4-13-7(5)6-1-3-11-8(10)12-6/h1-4H,(H2,10,11,12)
InChIKey
WDEVLKIHBBWXEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.77
TPSA
51.8

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
1.9
Consensus LogP
2.16
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-2.28

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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