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CAS 920519-33-1 FMOC-ASN(TRT)-SER(PSIME,MEPRO)-OH molecular structure lightbox
CAS RN: 920519-33-1

FMOC-ASN(TRT)-SER(PSIME,MEPRO)-OH

  • Product code: SSC-205640
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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 920519-33-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

920519-33-1 / (4S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

Standard CAS: 920519-33-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
920519-33-1
Multi CAS
Yes
Molecular Formula
C44H41N3O7
Molecular Weight
723.800000
Exact Mass
723.294451
InChI
InChI=1S/C44H41N3O7/c1-43(2)47(38(28-54-43)41(50)51)40(49)37(45-42(52)53-27-36-34-24-14-12-22-32(34)33-23-13-15-25-35(33)36)26-39(48)46-44(29-16-6-3-7-17-29,30-18-8-4-9-19-30)31-20-10-5-11-21-31/h3-25,36-38H,26-28H2,1-2H3,(H,45,52)(H,46,48)(H,50,51)/t37-,38-/m0/s1
InChIKey
CURRWEJPHUVJFC-UWXQCODUSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
30
Fraction Csp3
0.23
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
3
Molar refractivity
202.26
TPSA
134.27

LogP / Solubility

WLOGP
6.44
MLOGP
5.73
XLogP3
6.5
Consensus LogP
6.22
Log S (ESOL)
-8.07
Class (ESOL)
Insoluble
Log S (Ali)
-10.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.03
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)
-2.56

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
7

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