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CAS 80621-90-5 BOC-SAR-OSU molecular structure lightbox
CAS RN: 80621-90-5

BOC-SAR-OSU

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-189369
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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: ＞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 80621-90-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

80621-90-5 / (2,5-dioxopyrrolidin-1-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

Standard CAS: 80621-90-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80621-90-5
Multi CAS
No
Molecular Formula
C12H18N2O6
Molecular Weight
286.280000
Exact Mass
286.116486
InChI
InChI=1S/C12H18N2O6/c1-12(2,3)19-11(18)13(4)7-10(17)20-14-8(15)5-6-9(14)16/h5-7H2,1-4H3
InChIKey
FVEKCHUPMRHPKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
66.04
TPSA
93.22

LogP / Solubility

WLOGP
0.46
MLOGP
0.42
XLogP3
0.1
Consensus LogP
0.33
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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