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CAS 78603-97-1 (S)-(-)-2-AMINO-4-METHYL-1,1-DIPHENYL-1-PENTANOL molecular structure lightbox
CAS RN: 78603-97-1

(S)-(-)-2-AMINO-4-METHYL-1,1-DIPHENYL-1-PENTANOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250416 50mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS78603-97-1
  • Purity/Analytical Methods: >99.0%
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78603-97-1 / 2-amino-4-methyl-1,1-diphenylpentan-1-ol

Standard CAS: 78603-97-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78603-97-1
Multi CAS
Yes
Molecular Formula
C18H23NO
Molecular Weight
269.400000
Exact Mass
269.177964
InChI
InChI=1S/C18H23NO/c1-14(2)13-17(19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,20H,13,19H2,1-2H3
InChIKey
XECSMDWXBMBRDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
83.31
TPSA
46.25

LogP / Solubility

WLOGP
3.3
MLOGP
2.91
XLogP3
3.4
Consensus LogP
3.2
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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