CAS RN: 1009555-55-8
2,3-DCPE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-001732
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: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1009555-55-8 / 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride
2,3-DCPE HYDROCHLORIDE | 2,3-DCPEHCl | 2-((3-(2,3-Dichlorophenoxy)propyl)amino)ethan-1-ol hydrochloride
Basic Information
CAS
1009555-55-8
Multi CAS
No
Molecular Formula
C11H16Cl3NO2
Molecular Weight
300.600000
Exact Mass
299.024662
SMILES
C1=CC(=C(C(=C1)Cl)Cl)OCCCNCCO.Cl
InChI
InChI=1S/C11H15Cl2NO2.ClH/c12-9-3-1-4-10(11(9)13)16-8-2-5-14-6-7-15;/h1,3-4,14-15H,2,5-8H2;1H
InChIKey
GFCJFYSIPRIHKT-UHFFFAOYSA-N
Synonyms
2,3-DCPE HYDROCHLORIDE
2,3-DCPEHCl
2-((3-(2,3-Dichlorophenoxy)propyl)amino)ethan-1-ol hydrochloride
2,3-DCPE (hydrochloride)
MFCD06410993
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
73.78
TPSA
41.49
LogP / Solubility
WLOGP
2.77
MLOGP
2.45
XLogP3
2.77
Consensus LogP
2.66
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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