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CAS 205242-64-4 (S)-1-(benzylaMino)-3-(benzyloxy)propan-2-ol molecular structure lightbox
CAS RN: 205242-64-4

(S)-1-(benzylaMino)-3-(benzyloxy)propan-2-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250217 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-096552
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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 205242-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

205242-64-4 / (2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol

Standard CAS: 205242-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205242-64-4
Multi CAS
No
Molecular Formula
C17H21NO2
Molecular Weight
271.350000
Exact Mass
271.157229
SMILES
C1=CC=C(C=C1)CNC[C@@H](COCC2=CC=CC=C2)O
InChI
InChI=1S/C17H21NO2/c19-17(12-18-11-15-7-3-1-4-8-15)14-20-13-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2/t17-/m0/s1
InChIKey
RBWDXIHJXAZLIR-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.25
TPSA
41.49

LogP / Solubility

WLOGP
2.35
MLOGP
2.08
XLogP3
2
Consensus LogP
2.14
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

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

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