CAS RN: 2601734-99-8
SIRT6 activator 12q
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251120 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250117 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250316 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250728 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260629 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2601734-99-8
- Purity/Analytical Methods: >99.0%
2601734-99-8 / N-benzhydryl-2-(1-benzofuran-2-yl)quinoline-4-carboxamide
Basic Information
CAS
2601734-99-8
Multi CAS
No
Molecular Formula
C31H22N2O2
Molecular Weight
454.500000
Exact Mass
454.168128
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=CC=CC=C6O5
InChI
InChI=1S/C31H22N2O2/c34-31(33-30(21-11-3-1-4-12-21)22-13-5-2-6-14-22)25-20-27(32-26-17-9-8-16-24(25)26)29-19-23-15-7-10-18-28(23)35-29/h1-20,30H,(H,33,34)
InChIKey
JNULQPRWYHVXHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
31
Fraction Csp3
0.03
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
139.14
TPSA
55.13
LogP / Solubility
WLOGP
7.17
MLOGP
6.34
XLogP3
6.8
Consensus LogP
6.77
Log S (ESOL)
-7.5
Class (ESOL)
Insoluble
Log S (Ali)
-8.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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