![CAS 1402612-64-9 4′-[1-[[2-(Phenylmethyl)-1-piperidinyl]carbonyl]-1H-1,2,3-triazol-4-yl]-[1,1′-biphenyl]-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402612-64-9(2).gif)
CAS RN: 1402612-64-9
4′-[1-[[2-(Phenylmethyl)-1-piperidinyl]carbonyl]-1H-1,2,3-triazol-4-yl]-[1,1′-biphenyl]-3-carboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251103 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251015 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260313 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250723 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250423 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1402612-64-9
- Purity/Analytical Methods: >99.0%
1402612-64-9 / 3-[4-[1-(2-benzylpiperidine-1-carbonyl)triazol-4-yl]phenyl]benzoic acid
Basic Information
CAS
1402612-64-9
Multi CAS
No
Molecular Formula
C28H26N4O3
Molecular Weight
466.500000
Exact Mass
466.200491
SMILES
C1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC(=CC=C5)C(=O)O
InChI
InChI=1S/C28H26N4O3/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34)
InChIKey
SSSCOJOXPDDHOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
23
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
133.14
TPSA
88.32
LogP / Solubility
WLOGP
5.38
MLOGP
4.76
XLogP3
5.3
Consensus LogP
5.15
Log S (ESOL)
-6.28
Class (ESOL)
Insoluble
Log S (Ali)
-7.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.75
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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 1402664-68-9 4-Chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402664-68-9(2).gif)
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