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CAS 99173-61-2 diethyl 3-oxocyclobutane-1,1-dicarboxylate molecular structure lightbox
CAS RN: 99173-61-2

diethyl 3-oxocyclobutane-1,1-dicarboxylate

  • Product code: SSC-213020
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 0.25g, 1g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 99173-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 3 In Stock Hong Kong Inquiry
10g >97% 3 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Beijing Inquiry
25g >97% 2 In Stock Beijing Inquiry

99173-61-2 / diethyl 3-oxocyclobutane-1,1-dicarboxylate

Standard CAS: 99173-61-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99173-61-2
Multi CAS
No
Molecular Formula
C10H14O5
Molecular Weight
214.210000
Exact Mass
214.084124
InChI
InChI=1S/C10H14O5/c1-3-14-8(12)10(5-7(11)6-10)9(13)15-4-2/h3-6H2,1-2H3
InChIKey
RNEYQVYRVAVAIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
49.94
TPSA
69.67

LogP / Solubility

WLOGP
0.46
MLOGP
0.41
XLogP3
0.2
Consensus LogP
0.36
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.7

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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