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CAS 78658-49-8 BOC-GLU(OSU)-OBZL molecular structure lightbox
CAS RN: 78658-49-8

BOC-GLU(OSU)-OBZL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251108 1g Out of stock 15 business days Inquiry
  • Product code: SSC-188003
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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 78658-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

78658-49-8 / 1-O-benzyl 5-O-(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

Standard CAS: 78658-49-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78658-49-8
Multi CAS
Yes
Molecular Formula
C21H26N2O8
Molecular Weight
434.400000
Exact Mass
434.168916
InChI
InChI=1S/C21H26N2O8/c1-21(2,3)30-20(28)22-15(19(27)29-13-14-7-5-4-6-8-14)9-12-18(26)31-23-16(24)10-11-17(23)25/h4-8,15H,9-13H2,1-3H3,(H,22,28)
InChIKey
UZVYXLRCVBQZNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
1
Molar refractivity
105.81
TPSA
128.31

LogP / Solubility

WLOGP
2.01
MLOGP
1.8
XLogP3
1.7
Consensus LogP
1.84
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94

Drug-likeness / Medicinal Chemistry

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

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