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CAS 87720-54-5 BOC-4,5-DEHYDRO-LEU-OH DCHA molecular structure lightbox
CAS RN: 87720-54-5

BOC-4,5-DEHYDRO-LEU-OH DCHA

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250524 50mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS87720-54-5
  • Purity/Analytical Methods: >99.0%
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87720-54-5 / N-cyclohexylcyclohexanamine;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid

Standard CAS: 87720-54-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87720-54-5
Multi CAS
Yes
Molecular Formula
C23H42N2O4
Molecular Weight
410.600000
Exact Mass
410.314458
InChI
InChI=1S/C12H23N.C11H19NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h11-13H,1-10H2;8H,1,6H2,2-5H3,(H,12,15)(H,13,14)/t;8-/m.0/s1
InChIKey
ZRIOKRZSXPPREV-WDBKTSHHSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
117.11
TPSA
87.66

LogP / Solubility

WLOGP
5.17
MLOGP
4.58
XLogP3
5.17
Consensus LogP
4.97
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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