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CAS 211427-08-6 INS 365 molecular structure lightbox
CAS RN: 211427-08-6

INS 365

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 100mg In stock Shanghai Inquiry
Batchno.20260206 10mg In stock Shanghai Inquiry
Batchno.20260506 1g In stock Shanghai Inquiry
Batchno.20250608 250mg In stock Shanghai Inquiry
Batchno.20260602 25mg In stock Shanghai Inquiry
Batchno.20250814 50mg In stock Shanghai Inquiry
Batchno.20260302 5mg In stock Shanghai Inquiry
  • Product code: SSC-100991
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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 211427-08-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

211427-08-6 / tetrasodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

Standard CAS: 211427-08-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211427-08-6
Multi CAS
No
Molecular Formula
C18H22N4Na4O23P4
Molecular Weight
878.200000
Exact Mass
877.921608
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C18H26N4O23P4.4Na/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30;;;;/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,15-,16-;;;;/m1..../s1
InChIKey
OWTGMPPCCUSXIP-FNXFGIETSA-J

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
14
H-bond acceptors
25
H-bond donors
6
Molar refractivity
140.08
TPSA
415.77

LogP / Solubility

WLOGP
-18.7
MLOGP
-16.38
XLogP3
-18.7
Consensus LogP
-17.93
Log S (ESOL)
7.25
Class (ESOL)
Highly soluble
Log S (Ali)
6.74
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
8.47
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)
-21.36

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
10

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