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CAS 23102-86-5 SODIUM FORMATE-13C molecular structure lightbox
CAS RN: 23102-86-5

SODIUM FORMATE-13C

Product Availability

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251217 250mg In stock Inquiry
Batchno.20260102 50mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250928 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23102-86-5
  • Purity/Analytical Methods: >99.0%
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23102-86-5 / sodium oxo(113C)methanolate

Standard CAS: 23102-86-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23102-86-5
Multi CAS
No
Molecular Formula
CHNaO2
Molecular Weight
69.000000
Exact Mass
68.990778
SMILES
[13CH](=O)[O-].[Na+]
InChI
InChI=1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1/i1+1;
InChIKey
HLBBKKJFGFRGMU-YTBWXGASSA-M

Computed Properties

Structural Parameters

Heavy atom count
4
H-bond acceptors
2
Molar refractivity
6.06
TPSA
40.13

LogP / Solubility

WLOGP
-4.63
MLOGP
-4.09
XLogP3
-4.63
Consensus LogP
-4.45
Log S (ESOL)
2.66
Class (ESOL)
Highly soluble
Log S (Ali)
3.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.74
Class (SILICOS-IT)
Highly 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)
-6.42

Drug-likeness / Medicinal Chemistry

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

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