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CAS 200623-62-7 N-Fmoc-N’-trityl-D-glutamine molecular structure lightbox
CAS RN: 200623-62-7

N-Fmoc-N’-trityl-D-glutamine

  • Product code: SSC-094434
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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, 5g, 10g, 25g
  • 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 200623-62-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

200623-62-7 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(tritylamino)pentanoic acid

Standard CAS: 200623-62-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
200623-62-7
Multi CAS
No
Molecular Formula
C39H34N2O5
Molecular Weight
610.700000
Exact Mass
610.246772
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC[C@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)25-24-35(37(43)44)40-38(45)46-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34/h1-23,34-35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t35-/m1/s1
InChIKey
WDGICUODAOGOMO-PGUFJCEWSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
30
Fraction Csp3
0.15
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
3
Molar refractivity
176.21
TPSA
104.73

LogP / Solubility

WLOGP
6.87
MLOGP
6.09
XLogP3
7
Consensus LogP
6.65
Log S (ESOL)
-7.71
Class (ESOL)
Insoluble
Log S (Ali)
-9.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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