[email protected]
CAS 113583-35-0 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine molecular structure lightbox
CAS RN: 113583-35-0

4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251207 1g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-013675
GET A QUOTE
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: 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 113583-35-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

113583-35-0 / 4,6-dimethoxy-2-methylsulfonylpyrimidine

4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine | DTXSID10356944 | RefChem:96658

Standard CAS: 113583-35-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113583-35-0
Multi CAS
No
Molecular Formula
C7H10N2O4S
Molecular Weight
218.230000
Exact Mass
218.036128
SMILES
COC1=CC(=NC(=N1)S(=O)(=O)C)OC
InChI
InChI=1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3
InChIKey
ITDVJJVNAASTRS-UHFFFAOYSA-N
Synonyms
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine DTXSID10356944 RefChem:96658 DTXCID50308003 2-Methanesulfonyl-4,6-dimethoxypyrimidine

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
48.25
TPSA
78.38

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.09
XLogP3
0.4
Consensus LogP
0.07
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-4.12

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us