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CAS 2212-76-2 Z-LYS(BOC)-OH DCHA molecular structure lightbox
CAS RN: 2212-76-2

Z-LYS(BOC)-OH DCHA

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260614 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-106428
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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: 25g
  • 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 2212-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

2212-76-2 / N-cyclohexylcyclohexanamine;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid

Standard CAS: 2212-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2212-76-2
Multi CAS
No
Molecular Formula
C31H51N3O6
Molecular Weight
561.800000
Exact Mass
561.377786
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C19H28N2O6.C12H23N/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);11-13H,1-10H2/t15-;/m0./s1
InChIKey
VTDLJMATIHSOTR-RSAXXLAASA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
4
Molar refractivity
156.16
TPSA
125.99

LogP / Solubility

WLOGP
6.3
MLOGP
5.59
XLogP3
6.3
Consensus LogP
6.06
Log S (ESOL)
-6.68
Class (ESOL)
Insoluble
Log S (Ali)
-8.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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