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CAS 1000676-45-8 StilbosteMin N molecular structure lightbox
CAS RN: 1000676-45-8

StilbosteMin N

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Batchno.20250601 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1000676-45-8
  • Purity/Analytical Methods: >99.0%
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1000676-45-8 / 3-methoxy-5-[2-(2-methoxyphenyl)ethyl]phenol

stilbostemin N | 1000676-45-8 | STILBOSTEMINN

Standard CAS: 1000676-45-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1000676-45-8
Multi CAS
Yes
Molecular Formula
C16H18O3
Molecular Weight
258.310000
Exact Mass
258.125594
SMILES
COC1=CC=CC=C1CCC2=CC(=CC(=C2)OC)O
InChI
InChI=1S/C16H18O3/c1-18-15-10-12(9-14(17)11-15)7-8-13-5-3-4-6-16(13)19-2/h3-6,9-11,17H,7-8H2,1-2H3
InChIKey
CTQWBUQUEQSOJO-UHFFFAOYSA-N
Synonyms
stilbostemin N 1000676-45-8 STILBOSTEMINN RefChem:185785 3-methoxy-5-[2-(2-methoxyphenyl)ethyl]phenol

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.06
TPSA
38.69

LogP / Solubility

WLOGP
3.19
MLOGP
2.82
XLogP3
3.7
Consensus LogP
3.24
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.59
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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