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CAS 203309-98-2 (R)-(+)-1-BENZYLAMINO-3-PHENOXY-2-PROPANOL molecular structure lightbox
CAS RN: 203309-98-2

(R)-(+)-1-BENZYLAMINO-3-PHENOXY-2-PROPANOL

  • Product code: SSC-095727
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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 203309-98-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

203309-98-2 / (2R)-1-(benzylamino)-3-phenoxypropan-2-ol

Standard CAS: 203309-98-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203309-98-2
Multi CAS
No
Molecular Formula
C16H19NO2
Molecular Weight
257.330000
Exact Mass
257.141579
SMILES
C1=CC=C(C=C1)CNC[C@H](COC2=CC=CC=C2)O
InChI
InChI=1S/C16H19NO2/c18-15(13-19-16-9-5-2-6-10-16)12-17-11-14-7-3-1-4-8-14/h1-10,15,17-18H,11-13H2/t15-/m1/s1
InChIKey
SQKDNRNNDKUKAB-OAHLLOKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
76.09
TPSA
41.49

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.4
Consensus LogP
2.19
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
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)
-2.72

Drug-likeness / Medicinal Chemistry

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

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