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CAS 69677-02-7 N,N’-Dibenzyloxycarbonyl-D-lysine molecular structure lightbox
CAS RN: 69677-02-7

N,N’-Dibenzyloxycarbonyl-D-lysine

  • Product code: SSC-179400
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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: 5g
  • 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 69677-02-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

69677-02-7 / 2,6-bis(phenylmethoxycarbonylamino)hexanoic acid

Standard CAS: 69677-02-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69677-02-7
Multi CAS
Yes
Molecular Formula
C22H26N2O6
Molecular Weight
414.500000
Exact Mass
414.179087
InChI
InChI=1S/C22H26N2O6/c25-20(26)19(24-22(28)30-16-18-11-5-2-6-12-18)13-7-8-14-23-21(27)29-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m1/s1
InChIKey
BLZXFNUZFTZCFD-LJQANCHMSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
3
Molar refractivity
109.67
TPSA
113.96

LogP / Solubility

WLOGP
3.46
MLOGP
3.07
XLogP3
3.4
Consensus LogP
3.31
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

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

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