CAS RN: 329306-27-6
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Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250323 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS329306-27-6
- Purity/Analytical Methods: >99.0%
329306-27-6 / [3-(carbamoylamino)-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl] methanesulfonate
Basic Information
CAS
329306-27-6
Multi CAS
No
Molecular Formula
C17H12CL2N2O6S
Molecular Weight
443.300000
Exact Mass
441.979313
InChI
InChI=1S/C17H12Cl2N2O6S/c1-28(24,25)27-9-3-5-11-13(7-9)26-16(14(11)21-17(20)23)15(22)10-4-2-8(18)6-12(10)19/h2-7H,1H3,(H3,20,21,23)
InChIKey
YPFLFUJKZDAXRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
104.79
TPSA
128.7
LogP / Solubility
WLOGP
3.8
MLOGP
3.37
XLogP3
4
Consensus LogP
3.72
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
Class (SILICOS-IT)
Insoluble
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)
-2.73
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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