CAS RN: 342777-54-2
LM22B-10
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250213 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250328 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260410 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250319 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250823 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260417 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS342777-54-2
- Purity/Analytical Methods: >99.0%
342777-54-2 / 2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)anilino]ethanol
Basic Information
CAS
342777-54-2
Multi CAS
No
Molecular Formula
C27H33CLN2O4
Molecular Weight
485.000000
Exact Mass
484.212885
InChI
InChI=1S/C27H33ClN2O4/c28-24-7-1-21(2-8-24)27(22-3-9-25(10-4-22)29(13-17-31)14-18-32)23-5-11-26(12-6-23)30(15-19-33)16-20-34/h1-12,27,31-34H,13-20H2
InChIKey
QCXQLSGBOUUVNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
4
Molar refractivity
138.05
TPSA
87.4
LogP / Solubility
WLOGP
3.1
MLOGP
2.76
XLogP3
3.4
Consensus LogP
3.09
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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