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CAS 200936-83-0 BOC-N-ET-LEU-OH DCHA molecular structure lightbox
CAS RN: 200936-83-0

BOC-N-ET-LEU-OH DCHA

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-094807
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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: 1g
  • Available purity: ＞97%
  • 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 200936-83-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

200936-83-0 / N-cyclohexylcyclohexanamine;(2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoic acid

Standard CAS: 200936-83-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200936-83-0
Multi CAS
No
Molecular Formula
C25H48N2O4
Molecular Weight
440.700000
Exact Mass
440.361408
SMILES
CCN([C@@H](CC(C)C)C(=O)O)C(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C13H25NO4.C12H23N/c1-7-14(12(17)18-13(4,5)6)10(11(15)16)8-9(2)3;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h9-10H,7-8H2,1-6H3,(H,15,16);11-13H,1-10H2/t10-;/m0./s1
InChIKey
SRZJZVOYRZOXHC-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.92
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
126.37
TPSA
78.87

LogP / Solubility

WLOGP
5.98
MLOGP
5.29
XLogP3
5.98
Consensus LogP
5.75
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.16

Drug-likeness / Medicinal Chemistry

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

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