CAS RN: 1456632-41-9
SH5-07
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260108 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1456632-41-9
- Purity/Analytical Methods: >99.0%
1456632-41-9 / 4-[(4-cyclohexylphenyl)methyl-[2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]acetyl]amino]-N-hydroxybenzamide
Basic Information
CAS
1456632-41-9
Multi CAS
No
Molecular Formula
C29H28F5N3O5S
Molecular Weight
625.600000
Exact Mass
625.166983
SMILES
CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C(=O)NO)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F
InChI
InChI=1S/C29H28F5N3O5S/c1-36(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)16-22(38)37(21-13-11-20(12-14-21)29(39)35-40)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18,40H,2-6,15-16H2,1H3,(H,35,39)
InChIKey
QPSUYVALAOXFGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
145.2
TPSA
107.02
LogP / Solubility
WLOGP
5.4
MLOGP
4.81
XLogP3
5.5
Consensus LogP
5.24
Log S (ESOL)
-6.84
Class (ESOL)
Insoluble
Log S (Ali)
-8.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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