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CAS 93271-75-1 DiMethyl 2-(2-PyriMidyl)Malonate molecular structure lightbox
CAS RN: 93271-75-1

DiMethyl 2-(2-PyriMidyl)Malonate

  • Product code: SSC-207261
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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, 5g
  • Available purity: ＞97%
  • 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 93271-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

93271-75-1 / dimethyl 2-pyrimidin-2-ylpropanedioate

Standard CAS: 93271-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
93271-75-1
Multi CAS
No
Molecular Formula
C9H10N2O4
Molecular Weight
210.190000
Exact Mass
210.064057
InChI
InChI=1S/C9H10N2O4/c1-14-8(12)6(9(13)15-2)7-10-4-3-5-11-7/h3-6H,1-2H3
InChIKey
UBEKYGUUQKFFTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
48.81
TPSA
78.38

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.08
XLogP3
0.1
Consensus LogP
-0.02
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-4.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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