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CAS 1499503-95-5 4-Chloro-6-(methoxymethyl)-2-(methylthio)pyrimidine molecular structure lightbox
CAS RN: 1499503-95-5

4-Chloro-6-(methoxymethyl)-2-(methylthio)pyrimidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-059891
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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: 1g
  • 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 1499503-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1499503-95-5 / 4-chloro-6-(methoxymethyl)-2-methylsulfanylpyrimidine

Standard CAS: 1499503-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1499503-95-5
Multi CAS
No
Molecular Formula
C7H9ClN2OS
Molecular Weight
204.680000
Exact Mass
204.012412
SMILES
COCC1=CC(=NC(=N1)SC)Cl
InChI
InChI=1S/C7H9ClN2OS/c1-11-4-5-3-6(8)10-7(9-5)12-2/h3H,4H2,1-2H3
InChIKey
RWBYNJVGRHNTJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
49.54
TPSA
35.01

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
1.7
Consensus LogP
1.82
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

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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