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CAS 1315495-87-4 (1S,3R)-1-(Boc-aMino)-3-(Cbz-aMino)cyclopentane molecular structure lightbox
CAS RN: 1315495-87-4

(1S,3R)-1-(Boc-aMino)-3-(Cbz-aMino)cyclopentane

  • Product code: SSC-038725
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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: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1315495-87-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry

1315495-87-4 / benzyl N-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]carbamate

Standard CAS: 1315495-87-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1315495-87-4
Multi CAS
No
Molecular Formula
C18H26N2O4
Molecular Weight
334.400000
Exact Mass
334.189257
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-15-10-9-14(11-15)19-16(21)23-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,19,21)(H,20,22)/t14-,15+/m1/s1
InChIKey
AVUVRCBRFPDMCW-CABCVRRESA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
90.56
TPSA
76.66

LogP / Solubility

WLOGP
3.36
MLOGP
2.97
XLogP3
3.1
Consensus LogP
3.14
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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