![CAS 1393813-42-7 SulfaMide, N-[5-(4-broMophenyl)-6-chloro-4-pyriMidinyl]-N’-propyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1393813-42-7(2).gif)
CAS RN: 1393813-42-7
SulfaMide, N-[5-(4-broMophenyl)-6-chloro-4-pyriMidinyl]-N’-propyl-
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250711 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251210 | 10g | Out of stock | Inquiry | ||
| Batchno.20250510 | 1g | In stock | Tianjin | Inquiry | |
| Batchno.20260222 | 200mg / 1g / 5g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
| Batchno.20250727 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20250305 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1393813-42-7
- Purity/Analytical Methods: >99.0%
1393813-42-7 / 5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine
Basic Information
CAS
1393813-42-7
Multi CAS
No
Molecular Formula
C13H14BrClN4O2S
Molecular Weight
405.700000
Exact Mass
403.970940
SMILES
CCCNS(=O)(=O)NC1=C(C(=NC=N1)Cl)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H14BrClN4O2S/c1-2-7-18-22(20,21)19-13-11(12(15)16-8-17-13)9-3-5-10(14)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,16,17,19)
InChIKey
MUPKRWAGQKVNPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
91.01
TPSA
83.98
LogP / Solubility
WLOGP
3.22
MLOGP
2.85
XLogP3
3.4
Consensus LogP
3.16
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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