CAS RN: 28789-35-7

NORDIHYDROCAPSAICIN

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6 package records6 with current stock1 grade group
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Batchno.20251226 100mg In stock Shanghai Inquiry
Batchno.20260618 10mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS28789-35-7
  • Purity/Analytical Methods: >99.0%
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28789-35-7 / N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide

Standard CAS: 28789-35-7 Multi CAS: Yes

Basic Information

CAS
28789-35-7
Multi CAS
Yes
Molecular Formula
C17H27NO3
Molecular Weight
293.400000
Exact Mass
293.199094
InChI
InChI=1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20)
InChIKey
VQEONGKQWIFHMN-UHFFFAOYSA-N

Physical Properties

Melting Point
60 - 61 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
84.43
TPSA
58.56

LogP / Solubility

WLOGP
3.62
MLOGP
3.2
XLogP3
3.9
Consensus LogP
3.57
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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