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CAS 2255321-30-1 (2S)-4-ethoxy-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanoic acid molecular structure lightbox
CAS RN: 2255321-30-1

(2S)-4-ethoxy-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250515 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-110317
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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 2255321-30-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

2255321-30-1 / (2S)-4-ethoxy-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanoic acid

Standard CAS: 2255321-30-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2255321-30-1
Multi CAS
No
Molecular Formula
C22H25NO5
Molecular Weight
383.400000
Exact Mass
383.173273
SMILES
CCOCC[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO5/c1-3-27-13-12-20(21(24)25)23(2)22(26)28-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,3,12-14H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKey
GCNSBXORCIAWPG-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
105.37
TPSA
76.07

LogP / Solubility

WLOGP
3.75
MLOGP
3.32
XLogP3
3.4
Consensus LogP
3.49
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
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)
-2.4

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
3

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