CAS RN: 174822-86-7
tert-Butyl 4-(2-hydroxyphenyl)piperidine-1-carboxylate
- Product code: SSC-076683
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
174822-86-7 / tert-butyl 4-(2-hydroxyphenyl)piperidine-1-carboxylate
Basic Information
CAS
174822-86-7
Multi CAS
No
Molecular Formula
C16H23NO3
Molecular Weight
277.360000
Exact Mass
277.167794
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=CC=C2O
InChI
InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-10-8-12(9-11-17)13-6-4-5-7-14(13)18/h4-7,12,18H,8-11H2,1-3H3
InChIKey
ALRGNSRGOUNZAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.89
TPSA
49.77
LogP / Solubility
WLOGP
3.51
MLOGP
3.1
XLogP3
3
Consensus LogP
3.2
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
(4-bromo-2,6-dimethylphenyl)hydrazinehydrochloride
- CAS RN: 174826-34-7
- Product Code: SSC-076685
-
-
4-Oxazolidinecarboxylicacid,2,2-dimethyl-,methylester,(4S)-(9CI)
- CAS RN: 174840-02-9
- Product Code: SSC-076690
-
ETHYL 5-CHLOROPYRAZOLO[1,5-A]QUINAZOLINE-3-CARBOXYLATE
- CAS RN: 174842-56-9
- Product Code: starshine_CAS174842-56-9
- Purity/Analytical method: >99.0%
-
TERT-BUTYL 4-[2-(AMINOMETHYL)PHENYL]PIPERAZINE-1-CARBOXYLATE
- CAS RN: 174855-53-9
- Product Code: SSC-076693
![CAS 174842-56-9 ETHYL 5-CHLOROPYRAZOLO[1,5-A]QUINAZOLINE-3-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/174842-56-9.gif)
![CAS 174855-53-9 TERT-BUTYL 4-[2-(AMINOMETHYL)PHENYL]PIPERAZINE-1-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/174855-53-9.gif)