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CAS 39747-65-4 BOC-SER-OSU molecular structure lightbox
CAS RN: 39747-65-4

BOC-SER-OSU

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: SSC-147485
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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 39747-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

39747-65-4 / (2,5-dioxopyrrolidin-1-yl) 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Standard CAS: 39747-65-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39747-65-4
Multi CAS
Yes
Molecular Formula
C12H18N2O7
Molecular Weight
302.280000
Exact Mass
302.111401
InChI
InChI=1S/C12H18N2O7/c1-12(2,3)20-11(19)13-7(6-15)10(18)21-14-8(16)4-5-9(14)17/h7,15H,4-6H2,1-3H3,(H,13,19)/t7-/m0/s1
InChIKey
GDEYGBZNQMBETA-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
67.42
TPSA
122.24

LogP / Solubility

WLOGP
-0.52
MLOGP
-0.45
XLogP3
-0.7
Consensus LogP
-0.56
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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