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CAS 1369427-40-6 Dicyclohexylamine (2R,3R)-3-((S)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoate molecular structure lightbox
CAS RN: 1369427-40-6

Dicyclohexylamine (2R,3R)-3-((S)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 250mg In stock Shanghai Inquiry
  • Product code: SSC-046363
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • 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 1369427-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shanghai Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1369427-40-6 / N-cyclohexylcyclohexanamine;(2R,3R)-3-methoxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid

Standard CAS: 1369427-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1369427-40-6
Multi CAS
No
Molecular Formula
C26H48N2O5
Molecular Weight
468.700000
Exact Mass
468.356323
SMILES
C[C@H]([C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)OC)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C14H25NO5.C12H23N/c1-9(12(16)17)11(19-5)10-7-6-8-15(10)13(18)20-14(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h9-11H,6-8H2,1-5H3,(H,16,17);11-13H,1-10H2/t9-,10+,11-;/m1./s1
InChIKey
PKZALTWOMMNNOL-QJQMQQLTSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.92
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
130.44
TPSA
88.1

LogP / Solubility

WLOGP
5.36
MLOGP
4.75
XLogP3
5.36
Consensus LogP
5.16
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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