![CAS 917903-68-5 1-Piperidinecarboxylic acid, 4-[3-(methoxycarbonyl)phenoxy]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/917903-68-5.gif)
CAS RN: 917903-68-5
1-Piperidinecarboxylic acid, 4-[3-(methoxycarbonyl)phenoxy]-, 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250515 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS917903-68-5
- Purity/Analytical Methods: >99.0%
917903-68-5 / tert-butyl 4-(3-methoxycarbonylphenoxy)piperidine-1-carboxylate
Basic Information
CAS
917903-68-5
Multi CAS
Yes
Molecular Formula
C18H25NO5
Molecular Weight
335.400000
Exact Mass
335.173273
InChI
InChI=1S/C18H25NO5/c1-18(2,3)24-17(21)19-10-8-14(9-11-19)23-15-7-5-6-13(12-15)16(20)22-4/h5-7,12,14H,8-11H2,1-4H3
InChIKey
DJFIHJKYILFNSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
89.24
TPSA
65.07
LogP / Solubility
WLOGP
3.25
MLOGP
2.88
XLogP3
3.2
Consensus LogP
3.11
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
MK-6892
- CAS RN: 917910-45-3
- Product Code: starshine_CAS917910-45-3
- Purity/Analytical method: >99.0%
-
-
tert-Butyl 4-amino-4-(4-chlorophenyl)piperidine-1-carboxylate
- CAS RN: 917925-59-8
- Product Code: starshine_CAS917925-59-8
- Purity/Analytical method: >99.0%
-
tert-Butyl 4-aMino-4-(4-broMophenyl)piperidine-1-carboxylate
- CAS RN: 917925-62-3
- Product Code: starshine_CAS917925-62-3
- Purity/Analytical method: >99.0%
-
(4-BROMO-PHENYL)-TERT-BUTOXYCARBONYLAMINO-ACETIC ACID
- CAS RN: 917925-71-4
- Product Code: SSC-205234
-
