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CAS 516526-41-3 Ethanone,1-[2-amino-4-methoxy-5-(phenylmethoxy)phenyl]- molecular structure lightbox
CAS RN: 516526-41-3

Ethanone,1-[2-amino-4-methoxy-5-(phenylmethoxy)phenyl]-

  • Product code: SSC-158592
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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: 0.1g, 0.25g, 1g, 5g
  • 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 516526-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

516526-41-3 / 1-(2-amino-4-methoxy-5-phenylmethoxyphenyl)ethanone

Standard CAS: 516526-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
516526-41-3
Multi CAS
No
Molecular Formula
C16H17NO3
Molecular Weight
271.310000
Exact Mass
271.120843
InChI
InChI=1S/C16H17NO3/c1-11(18)13-8-16(15(19-2)9-14(13)17)20-10-12-6-4-3-5-7-12/h3-9H,10,17H2,1-2H3
InChIKey
RPLMHJHGYPHHHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.18
TPSA
61.55

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
2.9
Consensus LogP
2.89
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.56
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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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