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CAS RN: 380569-55-1
3-AMINO-4-CHLORO-N-(4-IODO-PHENYL)-BENZENESULFONAMIDE
- Product code: SSC-145548
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 | Shenzhen | Inquiry |
380569-55-1 / 3-amino-4-chloro-N-(4-iodophenyl)benzenesulfonamide
Basic Information
CAS
380569-55-1
Multi CAS
No
Molecular Formula
C13H10LiN2O2S
Molecular Weight
408.640000
Exact Mass
407.919620
InChI
InChI=1S/C12H10ClIN2O2S/c13-11-6-5-10(7-12(11)15)19(17,18)16-9-3-1-8(14)2-4-9/h1-7,16H,15H2
InChIKey
POOLQRHUSZNDDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.83
TPSA
72.19
LogP / Solubility
WLOGP
3.33
MLOGP
2.95
XLogP3
3
Consensus LogP
3.09
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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