[email protected]
CAS 64263-78-1 N-BOC-N-Α-METHYL-L-ISOLEUCINE DICYCLOHEXYLAMMONIUM SALT molecular structure lightbox
CAS RN: 64263-78-1

N-BOC-N-Α-METHYL-L-ISOLEUCINE DICYCLOHEXYLAMMONIUM SALT

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS64263-78-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

64263-78-1 / N-cyclohexylcyclohexanamine;(2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

Standard CAS: 64263-78-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64263-78-1
Multi CAS
Yes
Molecular Formula
C24H46N2O4
Molecular Weight
426.600000
Exact Mass
426.345758
InChI
InChI=1S/C12H23NO4.C12H23N/c1-7-8(2)9(10(14)15)13(6)11(16)17-12(3,4)5;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-9H,7H2,1-6H3,(H,14,15);11-13H,1-10H2/t8-,9-;/m0./s1
InChIKey
WGAXOUAOQSDMNQ-OZZZDHQUSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.92
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
121.76
TPSA
78.87

LogP / Solubility

WLOGP
5.59
MLOGP
4.95
XLogP3
5.59
Consensus LogP
5.38
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us