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CAS 133368-47-5 2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]acetic acid molecular structure lightbox
CAS RN: 133368-47-5

2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]acetic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250731 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-040059
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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 133368-47-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

133368-47-5 / 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid

Standard CAS: 133368-47-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133368-47-5
Multi CAS
No
Molecular Formula
C20H20N2O5
Molecular Weight
368.400000
Exact Mass
368.137222
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCC(=O)NCC(=O)O
InChI
InChI=1S/C20H20N2O5/c23-18(22-11-19(24)25)9-10-21-20(26)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,21,26)(H,22,23)(H,24,25)
InChIKey
PURQQMVFUFTWPQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
98.33
TPSA
104.73

LogP / Solubility

WLOGP
2.12
MLOGP
1.88
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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