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CAS 250214-69-8 Phenol, 2-[3-[bis(1-Methylethyl)aMino]-1-phenylpropyl]-4-(MethoxyMethyl)- molecular structure lightbox
CAS RN: 250214-69-8

Phenol, 2-[3-[bis(1-Methylethyl)aMino]-1-phenylpropyl]-4-(MethoxyMethyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251017 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS250214-69-8
  • Purity/Analytical Methods: >99.0%
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250214-69-8 / 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(methoxymethyl)phenol

Standard CAS: 250214-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
250214-69-8
Multi CAS
No
Molecular Formula
C23H33NO2
Molecular Weight
355.500000
Exact Mass
355.251129
SMILES
CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)COC)O)C(C)C
InChI
InChI=1S/C23H33NO2/c1-17(2)24(18(3)4)14-13-21(20-9-7-6-8-10-20)22-15-19(16-26-5)11-12-23(22)25/h6-12,15,17-18,21,25H,13-14,16H2,1-5H3
InChIKey
ICRSOVOKENPWCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
108.7
TPSA
32.7

LogP / Solubility

WLOGP
5.18
MLOGP
4.58
XLogP3
4.9
Consensus LogP
4.89
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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