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CAS 1259393-34-4 sodiumhydroxy((1r,4r)-4-(methoxycarbonyl)cyclohexyl)methanesulfonate molecular structure lightbox
CAS RN: 1259393-34-4

sodiumhydroxy((1r,4r)-4-(methoxycarbonyl)cyclohexyl)methanesulfonate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-031317
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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 1259393-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1259393-34-4 / sodium;hydride;hydroxy-(4-methoxycarbonylcyclohexyl)methanesulfonic acid

Standard CAS: 1259393-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1259393-34-4
Multi CAS
No
Molecular Formula
C9H17NaO6S
Molecular Weight
276.280000
Exact Mass
276.064354
SMILES
[H-].COC(=O)C1CCC(CC1)C(O)S(=O)(=O)O.[Na+]
InChI
InChI=1S/C9H16O6S.Na.H/c1-15-8(10)6-2-4-7(5-3-6)9(11)16(12,13)14;;/h6-7,9,11H,2-5H2,1H3,(H,12,13,14);;/q;+1;-1
InChIKey
UUFBMINIKDWIHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
56.13
TPSA
100.9

LogP / Solubility

WLOGP
-2.71
MLOGP
-2.38
XLogP3
-2.71
Consensus LogP
-2.6
Log S (ESOL)
0.35
Class (ESOL)
Highly soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.43
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)
-6.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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