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CAS 215190-27-5 FMOC-3-CARBOXYMETHYL-1-PHENYL-1,3,8-TRIAZASPIRO[4 5]DECAN-4-ONE molecular structure lightbox
CAS RN: 215190-27-5

FMOC-3-CARBOXYMETHYL-1-PHENYL-1,3,8-TRIAZASPIRO[4 5]DECAN-4-ONE

  • Product code: SSC-103132
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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 215190-27-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

215190-27-5 / 2-[8-(9H-fluoren-9-ylmethoxycarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid

Standard CAS: 215190-27-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215190-27-5
Multi CAS
No
Molecular Formula
C30H29N3O5
Molecular Weight
511.600000
Exact Mass
511.210721
SMILES
C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C30H29N3O5/c34-27(35)18-32-20-33(21-8-2-1-3-9-21)30(28(32)36)14-16-31(17-15-30)29(37)38-19-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-13,26H,14-20H2,(H,34,35)
InChIKey
ZSJFVKWLUVYERT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
141.74
TPSA
90.39

LogP / Solubility

WLOGP
4.16
MLOGP
3.7
XLogP3
4.4
Consensus LogP
4.09
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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