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CAS 1009375-04-5 1′-(TERT-BUTOXYCARBONYL)SPIRO[CHROMAN-2,4′-PIPERIDINE]-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 1009375-04-5

1′-(TERT-BUTOXYCARBONYL)SPIRO[CHROMAN-2,4′-PIPERIDINE]-4-CARBOXYLIC ACID

  • Product code: SSC-001701
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1009375-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry

1009375-04-5 / 1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-carboxylic acid

1'-(TERT-BUTOXYCARBONYL)SPIRO[CHROMAN-2,4'-PIPERIDINE]-4-CARBOXYLIC ACID | 1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-carboxylic acid | MFCD12198636

Standard CAS: 1009375-04-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1009375-04-5
Multi CAS
Yes
Molecular Formula
C19H25NO5
Molecular Weight
347.400000
Exact Mass
347.173273
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C3=CC=CC=C3O2)C(=O)O
InChI
InChI=1S/C19H25NO5/c1-18(2,3)25-17(23)20-10-8-19(9-11-20)12-14(16(21)22)13-6-4-5-7-15(13)24-19/h4-7,14H,8-12H2,1-3H3,(H,21,22)
InChIKey
KFYDPTLAMZWDGO-UHFFFAOYSA-N
Synonyms
1'-(TERT-BUTOXYCARBONYL)SPIRO[CHROMAN-2,4'-PIPERIDINE]-4-CARBOXYLIC ACID 1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-carboxylic acid MFCD12198636 1'-BOC-spiro[chroman-2,4'-piperidine]-4-carboxylic acid 1'-(tert-Butoxycarbonyl)spiro[chroman-2,4-piperidine]-4-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
91.84
TPSA
76.07

LogP / Solubility

WLOGP
3.41
MLOGP
3.02
XLogP3
2.8
Consensus LogP
3.08
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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