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CAS 2004679-56-3 (R)-2-(((R)-2-Hydroxy-1-phenylethyl)amino)-2-methylhexan-1-ol molecular structure lightbox
CAS RN: 2004679-56-3

(R)-2-(((R)-2-Hydroxy-1-phenylethyl)amino)-2-methylhexan-1-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250917 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-094378
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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 2004679-56-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2004679-56-3 / (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol

Standard CAS: 2004679-56-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2004679-56-3
Multi CAS
No
Molecular Formula
C15H25NO2
Molecular Weight
251.360000
Exact Mass
251.188529
SMILES
CCCC[C@](C)(CO)N[C@@H](CO)C1=CC=CC=C1
InChI
InChI=1S/C15H25NO2/c1-3-4-10-15(2,12-18)16-14(11-17)13-8-6-5-7-9-13/h5-9,14,16-18H,3-4,10-12H2,1-2H3/t14-,15+/m0/s1
InChIKey
SQDCHJZVMOXCFC-LSDHHAIUSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
74.42
TPSA
52.49

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2
Consensus LogP
2.08
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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