CAS RN: 199850-67-4
PD 166793
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260522 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250331 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250107 | 1g | Out of stock | Inquiry | ||
| Batchno.20260415 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250421 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250904 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260628 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250409 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS199850-67-4
- Purity/Analytical Methods: >99.0%
199850-67-4 / (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
Basic Information
CAS
199850-67-4
Multi CAS
No
Molecular Formula
C17H18BrNO4S
Molecular Weight
412.300000
Exact Mass
411.013990
SMILES
CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
InChIKey
GJOCABIDMCKCEG-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
96.16
TPSA
83.47
LogP / Solubility
WLOGP
3.5
MLOGP
3.11
XLogP3
4.2
Consensus LogP
3.6
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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