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CAS 809282-20-0 (2S,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol molecular structure lightbox
CAS RN: 809282-20-0

(2S,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS809282-20-0
  • Purity/Analytical Methods: >99.0%
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809282-20-0 / 1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol

Standard CAS: 809282-20-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
809282-20-0
Multi CAS
Yes
Molecular Formula
C15H25NO2
Molecular Weight
251.360000
Exact Mass
251.188529
InChI
InChI=1S/C15H25NO2/c1-6-15(17,12(2)11-16(3)4)13-8-7-9-14(10-13)18-5/h7-10,12,17H,6,11H2,1-5H3/t12-,15+/m0/s1
InChIKey
PZNRRUTVGXCKFC-SWLSCSKDSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.9
TPSA
32.7

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
2.6
Consensus LogP
2.43
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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)
-2.49

Drug-likeness / Medicinal Chemistry

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

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