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CAS 16259-78-2 H-LYS-OBZL 2 P-TOSYLATE molecular structure lightbox
CAS RN: 16259-78-2

H-LYS-OBZL 2 P-TOSYLATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 1g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-070022
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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 16259-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

16259-78-2 / benzyl (2S)-2,6-diaminohexanoate;bis(4-methylbenzenesulfonic acid)

Standard CAS: 16259-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16259-78-2
Multi CAS
No
Molecular Formula
C27H36N2O8S2
Molecular Weight
580.700000
Exact Mass
580.191308
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C13H20N2O2.2C7H8O3S/c14-9-5-4-8-12(15)13(16)17-10-11-6-2-1-3-7-11;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7,12H,4-5,8-10,14-15H2;2*2-5H,1H3,(H,8,9,10)/t12-;;/m0../s1
InChIKey
HKSGNVBOEXPQHJ-LTCKWSDVSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
4
Molar refractivity
149.11
TPSA
187.08

LogP / Solubility

WLOGP
3.67
MLOGP
3.27
XLogP3
3.67
Consensus LogP
3.54
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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