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CAS 166410-28-2 (9H-fluoren-9-yl)methyl tert-butyl ethane-1,2-diyldicarbamate molecular structure lightbox
CAS RN: 166410-28-2

(9H-fluoren-9-yl)methyl tert-butyl ethane-1,2-diyldicarbamate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250901 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-072651
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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: 5g
  • Available purity: ＞97%
  • 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 166410-28-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

166410-28-2 / tert-butyl N-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]carbamate

Standard CAS: 166410-28-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
166410-28-2
Multi CAS
No
Molecular Formula
C22H26N2O4
Molecular Weight
382.500000
Exact Mass
382.189257
SMILES
CC(C)(C)OC(=O)NCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H26N2O4/c1-22(2,3)28-21(26)24-13-12-23-20(25)27-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19H,12-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKey
LPCNXVJXDPVSMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
107.31
TPSA
76.66

LogP / Solubility

WLOGP
4.05
MLOGP
3.59
XLogP3
3.8
Consensus LogP
3.81
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
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)
-2.18

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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