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CAS 204190-67-0 N-alpha-N-Epsilon-di-t-butyloxycarbonyl-D-lysine dicyclohexylamine molecular structure lightbox
CAS RN: 204190-67-0

N-alpha-N-Epsilon-di-t-butyloxycarbonyl-D-lysine dicyclohexylamine

  • Product code: SSC-096050
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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: 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 204190-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

204190-67-0 / (2R)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-cyclohexylcyclohexanamine

Standard CAS: 204190-67-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204190-67-0
Multi CAS
No
Molecular Formula
C28H53N3O6
Molecular Weight
527.700000
Exact Mass
527.393436
SMILES
CC(C)(C)OC(=O)NCCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C16H30N2O6.C12H23N/c1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20);11-13H,1-10H2/t11-;/m1./s1
InChIKey
HRLHJTYAMCGERD-RFVHGSKJSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.89
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
145.76
TPSA
125.99

LogP / Solubility

WLOGP
5.9
MLOGP
5.23
XLogP3
5.9
Consensus LogP
5.68
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-8.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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