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CAS 178949-82-1 (S S)-ETHYLENEDIAMINE-N N-DISUCCINIC ACI molecular structure lightbox
CAS RN: 178949-82-1

(S S)-ETHYLENEDIAMINE-N N-DISUCCINIC ACI

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250705 100g In stock Shanghai Inquiry
Batchno.20260327 25g In stock Shanghai, Chongqing, Hebei Inquiry
Batchno.20250720 500g Out of stock 8-10 business days Inquiry
Batchno.20260427 5g In stock Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS178949-82-1
  • Purity/Analytical Methods: >99.0%
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178949-82-1 / trisodium;(2S)-2-[2-[[(1S)-1-carboxy-2-carboxylatoethyl]amino]ethylamino]butanedioate

Standard CAS: 178949-82-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
178949-82-1
Multi CAS
No
Molecular Formula
C10H13N2Na3O8
Molecular Weight
358.190000
Exact Mass
358.036498
SMILES
C(CN[C@@H](CC(=O)[O-])C(=O)[O-])N[C@@H](CC(=O)[O-])C(=O)O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C10H16N2O8.3Na/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16;;;/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-3/t5-,6-;;;/m0.../s1
InChIKey
QEHXDDFROMGLSP-VDBFCSKJSA-K

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.6
Rotatable bonds
11
H-bond acceptors
9
H-bond donors
3
Molar refractivity
55.47
TPSA
181.75

LogP / Solubility

WLOGP
-14.97
MLOGP
-13.16
XLogP3
-14.97
Consensus LogP
-14.37
Log S (ESOL)
8.1
Class (ESOL)
Highly soluble
Log S (Ali)
8.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
9.12
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)
-15.53

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
3.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 62 of 62 companies. For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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