![CAS 187665-65-2 (1S)-1-[2-[4-[4-(AMINOCARBONYL)PHENYL]-1-PIPERAZINYL]ETHYL]-3,4-DIHYDRO-N-METHYL-1H-2-BENZOPYRAN-6-CARBOXAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/187665-65-2.gif)
CAS RN: 187665-65-2
(1S)-1-[2-[4-[4-(AMINOCARBONYL)PHENYL]-1-PIPERAZINYL]ETHYL]-3,4-DIHYDRO-N-METHYL-1H-2-BENZOPYRAN-6-CARBOXAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250129 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS187665-65-2
- Purity/Analytical Methods: >99.0%
187665-65-2 / (1S)-1-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
Basic Information
CAS
187665-65-2
Multi CAS
No
Molecular Formula
C24H30N4O3
Molecular Weight
422.500000
Exact Mass
422.231791
SMILES
CNC(=O)C1=CC2=C(C=C1)[C@@H](OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C24H30N4O3/c1-26-24(30)19-4-7-21-18(16-19)9-15-31-22(21)8-10-27-11-13-28(14-12-27)20-5-2-17(3-6-20)23(25)29/h2-7,16,22H,8-15H2,1H3,(H2,25,29)(H,26,30)/t22-/m0/s1
InChIKey
PNTVCCRNJOGKGA-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
120.46
TPSA
87.9
LogP / Solubility
WLOGP
1.97
MLOGP
1.76
XLogP3
1.8
Consensus LogP
1.84
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
4-Piperazin-1-yl-benzoic acid tert-butyl ester
- CAS RN: 187669-28-9
- Product Code: SSC-087225
-
-
1-(4-Trifluoromethoxyphenyl)piperazine
- CAS RN: 187669-62-1
- Product Code: starshine_CAS187669-62-1
- Purity/Analytical method: >99.0%
-
-
Cis-tert-butyl 3-aMino-2-phenylpiperidine-1-carboxylate
- CAS RN: 187679-58-9
- Product Code: starshine_CAS187679-58-9
- Purity/Analytical method: >99.0%
-
(-)-1,2(2R,5R)-2,5-(DIMETHYLPHOSPHOLANO)BENZENE(CYCLOOCTADIENE)RHODIUM(I)TRIFLUOROMETHANESULFONATE
- CAS RN: 187682-63-9
- Product Code: SSC-087231
![CAS 187669-60-9 1-[4-(METHYLSULFONYL)PHENYL]PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/187669-60-9.gif)
