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CAS 2044711-09-1 (9H-Fluoren-9-yl)MethOxy]Carbonyl N-Me-D-Asn(Trt)-OH molecular structure lightbox
CAS RN: 2044711-09-1

(9H-Fluoren-9-yl)MethOxy]Carbonyl N-Me-D-Asn(Trt)-OH

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-096273
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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: ＞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 2044711-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2044711-09-1 / (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxo-4-(tritylamino)butanoic acid

Standard CAS: 2044711-09-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2044711-09-1
Multi CAS
No
Molecular Formula
C39H34N2O5
Molecular Weight
610.700000
Exact Mass
610.246772
SMILES
CN([C@H](CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C39H34N2O5/c1-41(38(45)46-26-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34)35(37(43)44)25-36(42)40-39(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29/h2-24,34-35H,25-26H2,1H3,(H,40,42)(H,43,44)/t35-/m1/s1
InChIKey
YZBDIRBPZCFMAZ-PGUFJCEWSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
30
Fraction Csp3
0.15
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
176.22
TPSA
95.94

LogP / Solubility

WLOGP
6.82
MLOGP
6.05
XLogP3
6.8
Consensus LogP
6.56
Log S (ESOL)
-7.74
Class (ESOL)
Insoluble
Log S (Ali)
-9.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

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

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