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CAS 351870-33-2 CIS-ENDO-BICYCLO(2.2.1)HEPTANE-2,3-DICARBOXYLICACID,DISODIUMSALT molecular structure lightbox
CAS RN: 351870-33-2

CIS-ENDO-BICYCLO(2.2.1)HEPTANE-2,3-DICARBOXYLICACID,DISODIUMSALT

  • Product code: SSC-142026
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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 351870-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

351870-33-2 / disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate

Standard CAS: 351870-33-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
351870-33-2
Multi CAS
No
Molecular Formula
C9H10NA2O4
Molecular Weight
228.150000
Exact Mass
228.037447
InChI
InChI=1S/C9H12O4.2Na/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;;/h4-7H,1-3H2,(H,10,11)(H,12,13);;/q;2*+1/p-2/t4-,5+,6-,7+;;
InChIKey
FXDGCBFGSXNGQD-FAESFXMKSA-L

Physical Properties

Physical Description
Dry Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
37.83
TPSA
80.26

LogP / Solubility

WLOGP
-7.84
MLOGP
-6.9
XLogP3
-7.84
Consensus LogP
-7.53
Log S (ESOL)
3.82
Class (ESOL)
Highly soluble
Log S (Ali)
4.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.13
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)
-9.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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