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CAS 112898-18-7 Boc-D-aspartic acid 4-cyslohexyl ester molecular structure lightbox
CAS RN: 112898-18-7

Boc-D-aspartic acid 4-cyslohexyl ester

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260327 1g In stock Inquiry
Batchno.20250921 25g In stock Inquiry
Batchno.20250531 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260224 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-013154
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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: 10g
  • 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 112898-18-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

112898-18-7 / (2R)-4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

N-Alpha-t-Boc-D-aspartic beta-cyclohexyl ester | SCHEMBL14017648 | 2-(tert-butoxycarbonylamino)-4-(cyclohexoxy)-4-oxo-butanoic acid

Standard CAS: 112898-18-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112898-18-7
Multi CAS
Yes
Molecular Formula
C15H25NO6
Molecular Weight
315.360000
Exact Mass
315.168188
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)OC1CCCCC1)C(=O)O
InChI
InChI=1S/C15H25NO6/c1-15(2,3)22-14(20)16-11(13(18)19)9-12(17)21-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKey
NLPQIWFEEKQBBN-LLVKDONJSA-N
Synonyms
N-Alpha-t-Boc-D-aspartic beta-cyclohexyl ester SCHEMBL14017648 2-(tert-butoxycarbonylamino)-4-(cyclohexoxy)-4-oxo-butanoic acid BDD-2617 BLD-2132

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
78.38
TPSA
101.93

LogP / Solubility

WLOGP
2.23
MLOGP
1.98
XLogP3
2.2
Consensus LogP
2.14
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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