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CAS 129-46-4 Suramin hexasodium salt molecular structure lightbox
CAS RN: 129-46-4

Suramin hexasodium salt

Product Availability

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9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250103 10mg In stock Inquiry
Batchno.20250526 250mg Out of stock Inquiry
Batchno.20250210 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 100mg In stock Shanghai Inquiry
Batchno.20260115 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260504 1mg In stock Shanghai Inquiry
Batchno.20251227 250mg In stock Shanghai Inquiry
Batchno.20250521 50mg In stock Shanghai Inquiry
Batchno.20260309 5g In stock Shanghai Inquiry
  • Product code: SSC-036186
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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: >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 129-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

129-46-4 / hexasodium;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate

Standard CAS: 129-46-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
129-46-4
Multi CAS
No
Molecular Formula
C51H34N6Na6O23S6
Molecular Weight
1429.200000
Exact Mass
1427.938574
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C51H40N6O23S6.6Na/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80;;;;;;/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;;;/q;6*+1/p-6
InChIKey
VAPNKLKDKUDFHK-UHFFFAOYSA-H

Computed Properties

Structural Parameters

Heavy atom count
92
Aromatic heavy atom count
44
Fraction Csp3
0.04
Rotatable bonds
16
H-bond acceptors
23
H-bond donors
6
Molar refractivity
295.37
TPSA
500.73

LogP / Solubility

WLOGP
-13.29
MLOGP
-11.55
XLogP3
-13.29
Consensus LogP
-12.71
Log S (ESOL)
0.37
Class (ESOL)
Highly soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-20.87

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
6.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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