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CAS 7670-08-8 Z-GLU(OTBU)-ONP molecular structure lightbox
CAS RN: 7670-08-8

Z-GLU(OTBU)-ONP

  • Product code: SSC-186145
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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: 0.25g
  • 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 7670-08-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

7670-08-8 / 5-O-tert-butyl 1-O-(4-nitrophenyl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate

Standard CAS: 7670-08-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7670-08-8
Multi CAS
Yes
Molecular Formula
C23H26N2O8
Molecular Weight
458.500000
Exact Mass
458.168916
InChI
InChI=1S/C23H26N2O8/c1-23(2,3)33-20(26)14-13-19(24-22(28)31-15-16-7-5-4-6-8-16)21(27)32-18-11-9-17(10-12-18)25(29)30/h4-12,19H,13-15H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKey
QELUBUSZCPJCNC-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
1
Molar refractivity
117.36
TPSA
134.07

LogP / Solubility

WLOGP
3.92
MLOGP
3.48
XLogP3
3.9
Consensus LogP
3.77
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.97
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

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

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