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CAS 1170-02-1 Ethylenediamine-N,N’-bis((2-hydroxyphenyl)acetic acid) molecular structure lightbox
CAS RN: 1170-02-1

Ethylenediamine-N,N’-bis((2-hydroxyphenyl)acetic acid)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251215 100mg In stock Inquiry
Batchno.20251025 1g In stock Inquiry
Batchno.20250212 250mg In stock Inquiry
Batchno.20250302 5g In stock Inquiry
  • Product code: SSC-016838
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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 1170-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1170-02-1 / 2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid

Edbpha | Edhpa | CHEL 138

Standard CAS: 1170-02-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1170-02-1
Multi CAS
Yes
Molecular Formula
C18H20N2O6
Molecular Weight
360.400000
Exact Mass
360.132136
SMILES
C1=CC=C(C(=C1)C(C(=O)O)NCCNC(C2=CC=CC=C2O)C(=O)O)O
InChI
InChI=1S/C18H20N2O6/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26)
InChIKey
PZZHMLOHNYWKIK-UHFFFAOYSA-N
Synonyms
Edbpha Edhpa CHEL 138 Ethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid) Benzeneacetic acid, alpha,alpha'-(1,2-ethanediyldiimino)bis(2-hydroxy-

Physical Properties

Physical Description
Solid; [ECHA REACH Registrations]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
6
Molar refractivity
92.97
TPSA
139.12

LogP / Solubility

WLOGP
1.23
MLOGP
1.1
XLogP3
-2.2
Consensus LogP
0.04
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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