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CAS 1936161-54-4 Cyclobutanecarboxylic acid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3,3-dimethyl- molecular structure lightbox
CAS RN: 1936161-54-4

Cyclobutanecarboxylic acid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3,3-dimethyl-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250707 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-091304
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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: 0.25g
  • 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 1936161-54-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1936161-54-4 / 1-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylcyclobutane-1-carboxylic acid

Standard CAS: 1936161-54-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1936161-54-4
Multi CAS
No
Molecular Formula
C22H23NO4
Molecular Weight
365.400000
Exact Mass
365.162708
SMILES
CC1(CC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C
InChI
InChI=1S/C22H23NO4/c1-21(2)12-22(13-21,19(24)25)23-20(26)27-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18H,11-13H2,1-2H3,(H,23,26)(H,24,25)
InChIKey
CDDXCMDALKUWGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
101.59
TPSA
75.63

LogP / Solubility

WLOGP
4.17
MLOGP
3.69
XLogP3
4.2
Consensus LogP
4.02
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble

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)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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