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CAS 262381-84-0 N-[[L-trans-3-(Ethoxycarbonyl)oxiran-2-yl]carbonyl]-L-leucyl-3-(p-hydroxyphenyl)ethylamide molecular structure lightbox
CAS RN: 262381-84-0

N-[[L-trans-3-(Ethoxycarbonyl)oxiran-2-yl]carbonyl]-L-leucyl-3-(p-hydroxyphenyl)ethylamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260218 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS262381-84-0
  • Purity/Analytical Methods: >99.0%
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262381-84-0 / ethyl (2S,3S)-3-[[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate

Standard CAS: 262381-84-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
262381-84-0
Multi CAS
Yes
Molecular Formula
C20H28N2O6
Molecular Weight
392.400000
Exact Mass
392.194737
InChI
InChI=1S/C20H28N2O6/c1-4-27-20(26)17-16(28-17)19(25)22-15(11-12(2)3)18(24)21-10-9-13-5-7-14(23)8-6-13/h5-8,12,15-17,23H,4,9-11H2,1-3H3,(H,21,24)(H,22,25)/t15-,16-,17-/m0/s1
InChIKey
VRFYYTLIPKHELT-ULQDDVLXSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
3
Molar refractivity
101.5
TPSA
117.26

LogP / Solubility

WLOGP
0.91
MLOGP
0.83
XLogP3
2.2
Consensus LogP
1.31
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.47

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
4.5

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