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CAS 350820-59-6 BOC-D-DAB(ALOC)-OH DCHA molecular structure lightbox
CAS RN: 350820-59-6

BOC-D-DAB(ALOC)-OH DCHA

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260204 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS350820-59-6
  • Purity/Analytical Methods: >99.0%
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350820-59-6 / N-cyclohexylcyclohexanamine;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(prop-2-enoxycarbonylamino)butanoic acid

Standard CAS: 350820-59-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
350820-59-6
Multi CAS
Yes
Molecular Formula
C25H45N3O6
Molecular Weight
483.600000
Exact Mass
483.330836
InChI
InChI=1S/C13H22N2O6.C12H23N/c1-5-8-20-12(19)15-9(10(16)17)6-7-14-11(18)21-13(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,9H,1,6-8H2,2-4H3,(H,14,18)(H,15,19)(H,16,17);11-13H,1-10H2/t9-;/m1./s1
InChIKey
ZWHPSLKRGKRCQH-SBSPUUFOSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.8
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
131.84
TPSA
125.99

LogP / Solubility

WLOGP
4.51
MLOGP
4
XLogP3
4.51
Consensus LogP
4.34
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

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

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