CAS RN: 690632-03-2
TERT-BUTYL 4-(2-NITROPHENOXY)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS690632-03-2
- Purity/Analytical Methods: >99.0%
690632-03-2 / tert-butyl 4-(2-nitrophenoxy)piperidine-1-carboxylate
Basic Information
CAS
690632-03-2
Multi CAS
No
Molecular Formula
C16H22N2O5
Molecular Weight
322.360000
Exact Mass
322.152872
InChI
InChI=1S/C16H22N2O5/c1-16(2,3)23-15(19)17-10-8-12(9-11-17)22-14-7-5-4-6-13(14)18(20)21/h4-7,12H,8-11H2,1-3H3
InChIKey
QQKRXIBPRNXHHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
84.55
TPSA
81.91
LogP / Solubility
WLOGP
3.37
MLOGP
2.98
XLogP3
3.2
Consensus LogP
3.18
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 690632-06-5 [3-[(4-METHYLPIPERIDINO)METHYL]PHENYL]METHANAMINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[3-[(4-METHYLPIPERIDINO)METHYL]PHENYL]METHANAMINE
- CAS RN: 690632-06-5
- Product Code: SSC-178695
-
6-BroMospiro[chroMan-2,4′-piperidin]-4-one
- CAS RN: 690632-08-7
- Product Code: starshine_CAS690632-08-7
- Purity/Analytical method: >99.0%
-
TERT-BUTYL 4-(2-AMINOPHENOXY)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
- CAS RN: 690632-14-5
- Product Code: SSC-178696
-
1-(MESITYLMETHYL)-1,4-DIAZEPANE
- CAS RN: 690632-22-5
- Product Code: starshine_CAS690632-22-5
- Purity/Analytical method: >99.0%
-
METHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-BENZOTHIOPHENE-2-CARBOXYLATE
- CAS RN: 690632-26-9
- Product Code: starshine_CAS690632-26-9
- Purity/Analytical method: >99.0%
-
(4-METHYLPIPERIDINO)(4-PIPERIDINYL)METHANONE HYDROCHLORIDE
- CAS RN: 690632-27-0
- Product Code: SSC-178697
![CAS 690632-06-5 [3-[(4-METHYLPIPERIDINO)METHYL]PHENYL]METHANAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/690632-06-5.gif)
![CAS 690632-08-7 6-BroMospiro[chroMan-2,4′-piperidin]-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/690632-08-7.gif)
