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CAS 16980-89-5 Bucladesine Sodium Salt molecular structure lightbox
CAS RN: 16980-89-5

Bucladesine Sodium Salt

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251021 5mg / 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250131 100mg In stock Inquiry
Batchno.20250907 1g In stock Inquiry
Batchno.20250807 250mg In stock Inquiry
Batchno.20250518 25mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250121 100mg In stock Shanghai Inquiry
Batchno.20251104 1g In stock Shanghai Inquiry
Batchno.20250614 1mg In stock Shanghai Inquiry
Batchno.20260104 250mg In stock Shanghai Inquiry
Batchno.20250331 50mg In stock Shanghai Inquiry
Batchno.20250816 5g In stock Shanghai Inquiry
  • Product code: SSC-074397
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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: ≥96%
  • 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 16980-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥96% 0 Out of Stock Shanghai Inquiry

16980-89-5 / sodium [(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate

Standard CAS: 16980-89-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16980-89-5
Multi CAS
No
Molecular Formula
C18H23N5NaO8P
Molecular Weight
491.400000
Exact Mass
491.118194
SMILES
CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)[O-])OC(=O)CCC.[Na+]
InChI
InChI=1S/C18H24N5O8P.Na/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/q;+1/p-1/t10-,14-,15-,18-;/m1./s1
InChIKey
KRBZRVBLIUDQNG-JBVYASIDSA-M

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
9
Fraction Csp3
0.61
Rotatable bonds
7
H-bond acceptors
12
H-bond donors
1
Molar refractivity
105.99
TPSA
166.82

LogP / Solubility

WLOGP
-1.94
MLOGP
-1.67
XLogP3
-1.94
Consensus LogP
-1.85
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-7.09

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
5.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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