![CAS 749902-82-7 3-CHLORO-N-(3-CHLORO-4-[[(4-CHLOROPHENYL)AMINO]SULFONYL]PHENYL)PROPANAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2416247.gif)
CAS RN: 749902-82-7
3-CHLORO-N-(3-CHLORO-4-[[(4-CHLOROPHENYL)AMINO]SULFONYL]PHENYL)PROPANAMIDE
- Product code: SSC-184482
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
749902-82-7 / 3-chloro-N-[3-chloro-4-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
Basic Information
CAS
749902-82-7
Multi CAS
No
Molecular Formula
C15H13CL3N2O3S
Molecular Weight
407.700000
Exact Mass
405.971247
InChI
InChI=1S/C15H13Cl3N2O3S/c16-8-7-15(21)19-12-5-6-14(13(18)9-12)24(22,23)20-11-3-1-10(17)2-4-11/h1-6,9,20H,7-8H2,(H,19,21)
InChIKey
YKOYXROLCRIRMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
97.68
TPSA
75.27
LogP / Solubility
WLOGP
4.36
MLOGP
3.86
XLogP3
3.4
Consensus LogP
3.87
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 749920-76-1 2-CHLORO-N-(2-[(2-METHOXY-5-METHYLPHENYL)AMINO]-2-OXOETHYL)ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0381154.gif)