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CAS 135941-84-3 Boc-L-aspartic acid 4-Methyl ester dicyclohexylaMMoniuM salt molecular structure lightbox
CAS RN: 135941-84-3

Boc-L-aspartic acid 4-Methyl ester dicyclohexylaMMoniuM salt

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250221 100g Out of stock 5-7 business days Inquiry
Batchno.20250905 25g In stock Shanghai Inquiry
Batchno.20260611 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-044503
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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 135941-84-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

135941-84-3 / N-cyclohexylcyclohexanamine;(2S)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Standard CAS: 135941-84-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135941-84-3
Multi CAS
No
Molecular Formula
C22H40N2O6
Molecular Weight
428.600000
Exact Mass
428.288637
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)OC)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C12H23N.C10H17NO6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h11-13H,1-10H2;6H,5H2,1-4H3,(H,11,15)(H,13,14)/t;6-/m.0/s1
InChIKey
VAZLUTJIPMHAQN-ZCMDIHMWSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
114.31
TPSA
113.96

LogP / Solubility

WLOGP
3.77
MLOGP
3.34
XLogP3
3.77
Consensus LogP
3.63
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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