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CAS 227006-55-5 Glycine, N-3-buten-1-yl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- molecular structure lightbox
CAS RN: 227006-55-5

Glycine, N-3-buten-1-yl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-110716
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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 227006-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

227006-55-5 / 2-[but-3-enyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid

Standard CAS: 227006-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227006-55-5
Multi CAS
No
Molecular Formula
C21H21NO4
Molecular Weight
351.400000
Exact Mass
351.147058
SMILES
C=CCCN(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H21NO4/c1-2-3-12-22(13-20(23)24)21(25)26-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h2,4-11,19H,1,3,12-14H2,(H,23,24)
InChIKey
IJBPAHPUQGXDLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
99.09
TPSA
66.84

LogP / Solubility

WLOGP
3.9
MLOGP
3.45
XLogP3
3.9
Consensus LogP
3.75
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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