[email protected]
CAS 2650-17-1 Xylene Cyanol FF molecular structure lightbox
CAS RN: 2650-17-1

Xylene Cyanol FF

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250729 100g In stock Shanghai, Wuhan Inquiry
Batchno.20250905 10g In stock Shanghai, Wuhan Inquiry
Batchno.20250110 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250225 25g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250416 500g In stock Shanghai Inquiry
Batchno.20260529 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250628 100g In stock Shanghai Inquiry
Batchno.20260415 1g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20250118 25g In stock Shanghai, Shandong Inquiry
Batchno.20260425 5g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-124427
GET A QUOTE
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: 75%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 2650-17-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g 75% 0 Out of Stock Beijing Inquiry

2650-17-1 / sodium 4-[(E)-[4-(ethylamino)-3-methylphenyl]-(4-ethylazaniumylidene-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate

Standard CAS: 2650-17-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2650-17-1
Multi CAS
No
Molecular Formula
C25H27N2NaO6S2
Molecular Weight
538.600000
Exact Mass
538.120823
SMILES
CCNC1=C(C=C(C=C1)/C(=C\2/C=CC(=[NH+]CC)C(=C2)C)/C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+]
InChI
InChI=1S/C25H28N2O6S2.Na/c1-5-26-22-11-7-18(13-16(22)3)25(19-8-12-23(27-6-2)17(4)14-19)21-10-9-20(34(28,29)30)15-24(21)35(31,32)33;/h7-15,26H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1/b25-19+,27-23?;
InChIKey
VVLFAAMTGMGYBS-LZMHHRBESA-M

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
133.14
TPSA
140.4

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.75
XLogP3
-0.9
Consensus LogP
-0.85
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us