[email protected]
CAS 1403767-14-5 trans-(3-Amino-cyclopentylmethyl)-carbamic acid tert-butyl ester molecular structure lightbox
CAS RN: 1403767-14-5

trans-(3-Amino-cyclopentylmethyl)-carbamic acid tert-butyl ester

  • Product code: SSC-050970
GET A QUOTE
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
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1403767-14-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1403767-14-5 / tert-butyl N-[[(1R,3R)-3-aminocyclopentyl]methyl]carbamate

Standard CAS: 1403767-14-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1403767-14-5
Multi CAS
No
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C1)N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-8-4-5-9(12)6-8/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m1/s1
InChIKey
PIFXVPWOUHXSLO-RKDXNWHRSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.55
TPSA
64.35

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.2
Consensus LogP
1.43
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us