![CAS 1346623-11-7 3-Piperidinecarboxylic acid, 2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-, (2R,3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346623-11-7.gif)
CAS RN: 1346623-11-7
3-Piperidinecarboxylic acid, 2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-, (2R,3S)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1346623-11-7
- Purity/Analytical Methods: >99.0%
1346623-11-7 / (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxylic acid
Basic Information
CAS
1346623-11-7
Multi CAS
No
Molecular Formula
C25H29FN2O3
Molecular Weight
424.500000
Exact Mass
424.216221
SMILES
CC1=C(C(=CC=C1)F)C(=O)N2CCC[C@@H]([C@@H]2C3=CC=C(C=C3)NC4CCCC4)C(=O)O
InChI
InChI=1S/C25H29FN2O3/c1-16-6-4-10-21(26)22(16)24(29)28-15-5-9-20(25(30)31)23(28)17-11-13-19(14-12-17)27-18-7-2-3-8-18/h4,6,10-14,18,20,23,27H,2-3,5,7-9,15H2,1H3,(H,30,31)/t20-,23-/m0/s1
InChIKey
CPWLRPFRPUSINR-REWPJTCUSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
117.6
TPSA
69.64
LogP / Solubility
WLOGP
5.17
MLOGP
4.57
XLogP3
4.6
Consensus LogP
4.78
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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