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CAS 2306254-36-2 (2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid hydrochloride molecular structure lightbox
CAS RN: 2306254-36-2

(2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-112182
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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: 1g
  • 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 2306254-36-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2306254-36-2 / 2-amino-3-(4,4-difluorocyclohexyl)propanoic acid;hydrochloride

Standard CAS: 2306254-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2306254-36-2
Multi CAS
No
Molecular Formula
C9H16ClF2NO2
Molecular Weight
243.680000
Exact Mass
243.083763
SMILES
C1CC(CCC1CC(C(=O)O)N)(F)F.Cl
InChI
InChI=1S/C9H15F2NO2.ClH/c10-9(11)3-1-6(2-4-9)5-7(12)8(13)14;/h6-7H,1-5,12H2,(H,13,14);1H
InChIKey
MAJOAEKSMAWTQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.38
TPSA
63.32

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
2.04
Consensus LogP
1.96
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

Drug-likeness / Medicinal Chemistry

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

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