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CAS 213178-94-0 3-Cyclohexyl-D-alanine Hydrate molecular structure lightbox
CAS RN: 213178-94-0

3-Cyclohexyl-D-alanine Hydrate

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260304 100g In stock Inquiry
Batchno.20260213 10g In stock Inquiry
Batchno.20250908 1g In stock Inquiry
Batchno.20260226 250mg In stock Inquiry
Batchno.20260119 25g In stock Inquiry
Batchno.20260620 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-101778
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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: >98%
  • 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 213178-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >98% 0 Out of Stock Shenzhen Inquiry

213178-94-0 / (2R)-2-amino-3-cyclohexylpropanoic acid;hydrate

Standard CAS: 213178-94-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
213178-94-0
Multi CAS
No
Molecular Formula
C9H19NO3
Molecular Weight
189.250000
Exact Mass
189.136493
SMILES
C1CCC(CC1)C[C@H](C(=O)O)N.O
InChI
InChI=1S/C9H17NO2.H2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h7-8H,1-6,10H2,(H,11,12);1H2/t8-;/m1./s1
InChIKey
HDJQIWAIDCEDEF-DDWIOCJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.42
TPSA
94.82

LogP / Solubility

WLOGP
0.54
MLOGP
0.48
XLogP3
0.54
Consensus LogP
0.52
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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