CAS RN: 1267610-30-9
LDN 193188
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251014 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1267610-30-9
- Purity/Analytical Methods: >99.0%
1267610-30-9 / 2,4-dichloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzamide
Basic Information
CAS
1267610-30-9
Multi CAS
No
Molecular Formula
C20H17Cl2N5O4S
Molecular Weight
494.300000
Exact Mass
493.037831
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C
InChI
InChI=1S/C20H17Cl2N5O4S/c1-11-9-12(2)24-19(23-11)27-32(30,31)15-6-4-14(5-7-15)25-20(29)26-18(28)16-8-3-13(21)10-17(16)22/h3-10H,1-2H3,(H,23,24,27)(H2,25,26,28,29)
InChIKey
COTBDKMEUUNJTI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
121.7
TPSA
130.15
LogP / Solubility
WLOGP
4.16
MLOGP
3.7
XLogP3
4.1
Consensus LogP
3.99
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.93
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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