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CAS 146368-14-1 CY5 NHS ESTER molecular structure lightbox
CAS RN: 146368-14-1

CY5 NHS ESTER

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260409 100mg In stock Shanghai Inquiry
Batchno.20250813 10mg In stock Shanghai Inquiry
Batchno.20260522 1g In stock Shanghai Inquiry
Batchno.20250709 250mg In stock Shanghai Inquiry
Batchno.20260630 25mg In stock Shanghai Inquiry
Batchno.20260513 50mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250217 5mg In stock Shanghai Inquiry
  • Product code: SSC-057427
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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: 0.1g, 0.25g, 1g
  • 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 146368-14-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

146368-14-1 / 2-[5-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate

Standard CAS: 146368-14-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
146368-14-1
Multi CAS
No
Molecular Formula
C37H43N3O10S2
Molecular Weight
753.900000
Exact Mass
753.238987
SMILES
CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(C1=CC=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)ON5C(=O)CCC5=O)(C)C
InChI
InChI=1S/C37H43N3O10S2/c1-6-38-29-18-16-25(51(44,45)46)23-27(29)36(2,3)31(38)13-9-7-10-14-32-37(4,5)28-24-26(52(47,48)49)17-19-30(28)39(32)22-12-8-11-15-35(43)50-40-33(41)20-21-34(40)42/h7,9-10,13-14,16-19,23-24H,6,8,11-12,15,20-22H2,1-5H3,(H-,44,45,46,47,48,49)
InChIKey
WXWLHDCCGVWTDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
13
H-bond acceptors
10
H-bond donors
1
Molar refractivity
191.54
TPSA
181.5

LogP / Solubility

WLOGP
5.2
MLOGP
4.64
XLogP3
4
Consensus LogP
4.61
Log S (ESOL)
-7.1
Class (ESOL)
Insoluble
Log S (Ali)
-9.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.63

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
5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501

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