![CAS 852212-99-8 N-[(1R,2R)-2-aMino-1,2-bis(4-Methoxyphenyl)ethyl]-4-Methyl-BenzenesulfonaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852212-99-8.gif)
CAS RN: 852212-99-8
N-[(1R,2R)-2-aMino-1,2-bis(4-Methoxyphenyl)ethyl]-4-Methyl-BenzenesulfonaMide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251020 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS852212-99-8
- Purity/Analytical Methods: >99.0%
852212-99-8 / N-[(1R,2R)-2-amino-1,2-bis(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
Basic Information
CAS
852212-99-8
Multi CAS
Yes
Molecular Formula
C23H26N2O4S
Molecular Weight
426.500000
Exact Mass
426.161328
InChI
InChI=1S/C23H26N2O4S/c1-16-4-14-21(15-5-16)30(26,27)25-23(18-8-12-20(29-3)13-9-18)22(24)17-6-10-19(28-2)11-7-17/h4-15,22-23,25H,24H2,1-3H3/t22-,23-/m1/s1
InChIKey
QECIBWAUSHWNEP-DHIUTWEWSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
117.16
TPSA
90.65
LogP / Solubility
WLOGP
3.73
MLOGP
3.31
XLogP3
3.3
Consensus LogP
3.45
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.49
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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