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CAS 85803-44-7 (S)-2-AMINO-3-[4-(PHENYLMETHOXY)PHENYL]-1-PROPANOL molecular structure lightbox
CAS RN: 85803-44-7

(S)-2-AMINO-3-[4-(PHENYLMETHOXY)PHENYL]-1-PROPANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-194431
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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 85803-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

85803-44-7 / 2-amino-3-(4-phenylmethoxyphenyl)propan-1-ol

Standard CAS: 85803-44-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85803-44-7
Multi CAS
Yes
Molecular Formula
C16H19NO2
Molecular Weight
257.330000
Exact Mass
257.141579
InChI
InChI=1S/C16H19NO2/c17-15(11-18)10-13-6-8-16(9-7-13)19-12-14-4-2-1-3-5-14/h1-9,15,18H,10-12,17H2/t15-/m0/s1
InChIKey
ULWCCGZZBDIDCB-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.98
TPSA
55.48

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
2.1
Consensus LogP
2.04
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-2.78

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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