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CAS 56877-43-1 Z-DL-GLA(OTBU)2-OH molecular structure lightbox
CAS RN: 56877-43-1

Z-DL-GLA(OTBU)2-OH

  • Product code: SSC-164915
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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 56877-43-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

56877-43-1 / 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid

Standard CAS: 56877-43-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56877-43-1
Multi CAS
Yes
Molecular Formula
C22H31NO8
Molecular Weight
437.500000
Exact Mass
437.204967
InChI
InChI=1S/C22H31NO8/c1-21(2,3)30-18(26)15(19(27)31-22(4,5)6)12-16(17(24)25)23-20(28)29-13-14-10-8-7-9-11-14/h7-11,15-16H,12-13H2,1-6H3,(H,23,28)(H,24,25)
InChIKey
JSRFPOKYPNCYJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
110.98
TPSA
128.23

LogP / Solubility

WLOGP
3.06
MLOGP
2.72
XLogP3
3.3
Consensus LogP
3.03
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
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
Yes
Log Kp (skin permeation)
-3.22

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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