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CAS 1221792-81-9 N-(9-Fluorenylmethoxycarbonyl)-1,2,3,4-tetrahydro-1-naphthylamine-4-carboxylic acid molecular structure lightbox
CAS RN: 1221792-81-9

N-(9-Fluorenylmethoxycarbonyl)-1,2,3,4-tetrahydro-1-naphthylamine-4-carboxylic acid

  • Product code: SSC-025167
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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 1221792-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1221792-81-9 / 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Standard CAS: 1221792-81-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1221792-81-9
Multi CAS
No
Molecular Formula
C26H23NO4
Molecular Weight
413.500000
Exact Mass
413.162708
SMILES
C1CC(C2=CC=CC=C2C1C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C26H23NO4/c28-25(29)22-13-14-24(21-12-6-5-11-20(21)22)27-26(30)31-15-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)23/h1-12,22-24H,13-15H2,(H,27,30)(H,28,29)
InChIKey
JEVWENZFSHWYMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
117
TPSA
75.63

LogP / Solubility

WLOGP
5.23
MLOGP
4.63
XLogP3
4.6
Consensus LogP
4.82
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
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)
-1.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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