CAS RN: 31036-80-3
Lofexidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250609 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS31036-80-3
- Purity/Analytical Methods: >99.0%
31036-80-3 / 2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
Basic Information
CAS
31036-80-3
Multi CAS
Yes
Molecular Formula
C11H12CL2N2O
Molecular Weight
259.130000
Exact Mass
258.032668
InChI
InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKey
KSMAGQUYOIHWFS-UHFFFAOYSA-N
Physical Properties
Melting Point
221-223
127 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.86
TPSA
33.62
LogP / Solubility
WLOGP
2.76
MLOGP
2.44
XLogP3
2.6
Consensus LogP
2.6
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 31040-09-2 8-Nitro-1,2,4-triazolo[4,3-a]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
3-Methyl-8-nitro-1,2,4-triazolo[4,3-a]pyridine
- CAS RN: 31040-10-5
- Product Code: SSC-136256
-
-
8-Amino-3-methyl-1,2,4-triazolo[4,3-a]pyridine
- CAS RN: 31040-12-7
- Product Code: SSC-136258
-
-
6-Nitro-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine
- CAS RN: 31040-15-0
- Product Code: SSC-136260
![CAS 31040-09-2 8-Nitro-1,2,4-triazolo[4,3-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/31040-09-2.gif)
![CAS 31040-10-5 3-Methyl-8-nitro-1,2,4-triazolo[4,3-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/31040-10-5.gif)
![CAS 31040-11-6 1,2,4-Triazolo[4,3-a]pyridin-8-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/31040-11-6.gif)
![CAS 31040-12-7 8-Amino-3-methyl-1,2,4-triazolo[4,3-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/31040-12-7.gif)
![CAS 31040-14-9 6-Nitro[1,2,4]triazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/31040-14-9.gif)
![CAS 31040-15-0 6-Nitro-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/31040-15-0.gif)