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CAS 91063-60-4 4-chloro-2-methylsulfanyl-6-phenylpyrimidine molecular structure lightbox
CAS RN: 91063-60-4

4-chloro-2-methylsulfanyl-6-phenylpyrimidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-203895
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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 91063-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

91063-60-4 / 4-chloro-2-methylsulfanyl-6-phenylpyrimidine

Standard CAS: 91063-60-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91063-60-4
Multi CAS
Yes
Molecular Formula
C11H9CLN2S
Molecular Weight
236.720000
Exact Mass
236.017497
InChI
InChI=1S/C11H9ClN2S/c1-15-11-13-9(7-10(12)14-11)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
ZEESGEQPRKDJCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
64.26
TPSA
25.78

LogP / Solubility

WLOGP
3.52
MLOGP
3.1
XLogP3
3.7
Consensus LogP
3.44
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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)
-1.67

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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