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CAS 138372-76-6 (9H-Fluoren-9-yl)MethOxy]Carbonyl Phe-Pro-OH molecular structure lightbox
CAS RN: 138372-76-6

(9H-Fluoren-9-yl)MethOxy]Carbonyl Phe-Pro-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251220 1g Out of stock 15 business days Inquiry
  • Product code: SSC-048283
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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 138372-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

138372-76-6 / (2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid

Standard CAS: 138372-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138372-76-6
Multi CAS
No
Molecular Formula
C29H28N2O5
Molecular Weight
484.500000
Exact Mass
484.199822
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C29H28N2O5/c32-27(31-16-8-15-26(31)28(33)34)25(17-19-9-2-1-3-10-19)30-29(35)36-18-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h1-7,9-14,24-26H,8,15-18H2,(H,30,35)(H,33,34)/t25-,26-/m0/s1
InChIKey
ZLLJYCCFIFHMLH-UIOOFZCWSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
134.51
TPSA
95.94

LogP / Solubility

WLOGP
4.21
MLOGP
3.74
XLogP3
4.7
Consensus LogP
4.22
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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