[email protected]
CAS 18653-98-0 N,N’-BIS(2-HYDROXYBENZYL)ETHYLENEDIAMINE molecular structure lightbox
CAS RN: 18653-98-0

N,N’-BIS(2-HYDROXYBENZYL)ETHYLENEDIAMINE

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251026 100mg In stock Inquiry
Batchno.20260329 1g In stock Inquiry
Batchno.20260403 250mg In stock Inquiry
Batchno.20250417 25g In stock Inquiry
Batchno.20250619 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260117 10g Out of stock Inquiry
Batchno.20260508 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251225 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250909 5g In stock Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-086660
GET A QUOTE
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: 5g
  • Available purity: min. 98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 18653-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g min. 98% 0 Out of Stock Shenzhen Inquiry

18653-98-0 / 2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol

Standard CAS: 18653-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18653-98-0
Multi CAS
No
Molecular Formula
C16H20N2O2
Molecular Weight
272.340000
Exact Mass
272.152478
SMILES
C1=CC=C(C(=C1)CNCCNCC2=CC=CC=C2O)O
InChI
InChI=1S/C16H20N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,17-20H,9-12H2
InChIKey
MLFXJCXPSODAIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
79.63
TPSA
64.52

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
2.7
Consensus LogP
2.14
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us