CAS RN: 852212-90-9
(1R,2R)-N-(2,4,6-TRIMETHYLPHENYLSULFONYL)-1,2-DIPHENYLETHANE-1,2-DIAMINE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-193478
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
852212-90-9 / N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide
Basic Information
CAS
852212-90-9
Multi CAS
Yes
Molecular Formula
C23H26N2O2S
Molecular Weight
394.500000
Exact Mass
394.171499
InChI
InChI=1S/C23H26N2O2S/c1-16-14-17(2)23(18(3)15-16)28(26,27)25-22(20-12-8-5-9-13-20)21(24)19-10-6-4-7-11-19/h4-15,21-22,25H,24H2,1-3H3/t21-,22-/m0/s1
InChIKey
NHQZWDCNEJJOGT-VXKWHMMOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
113.53
TPSA
72.19
LogP / Solubility
WLOGP
4.33
MLOGP
3.84
XLogP3
4.1
Consensus LogP
4.09
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05
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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