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CAS 200334-95-8 BOC-D-ASP(OTBU)-OH DCHA molecular structure lightbox
CAS RN: 200334-95-8

BOC-D-ASP(OTBU)-OH DCHA

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251101 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-094320
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 200334-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

200334-95-8 / N-cyclohexylcyclohexanamine;(2R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Standard CAS: 200334-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200334-95-8
Multi CAS
No
Molecular Formula
C25H46N2O6
Molecular Weight
470.600000
Exact Mass
470.335587
SMILES
CC(C)(C)OC(=O)C[C@H](C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C13H23NO6.C12H23N/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,14,18)(H,16,17);11-13H,1-10H2/t8-;/m1./s1
InChIKey
OMYRDWOMNDCKEJ-DDWIOCJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
128.14
TPSA
113.96

LogP / Solubility

WLOGP
4.94
MLOGP
4.38
XLogP3
4.94
Consensus LogP
4.75
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.54
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)
-2.09

Drug-likeness / Medicinal Chemistry

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

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