CAS RN: 694495-64-2
CIS-3-METHOXYCARBONYLAMINO-4-METHYLPIPERIDINE
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.20260605 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS694495-64-2
- Purity/Analytical Methods: >99.0%
694495-64-2 / methyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate
Basic Information
CAS
694495-64-2
Multi CAS
Yes
Molecular Formula
C8H16N2O2
Molecular Weight
172.220000
Exact Mass
172.121178
InChI
InChI=1S/C8H16N2O2/c1-6-3-4-9-5-7(6)10-8(11)12-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)/t6-,7+/m0/s1
InChIKey
PKLKJOHNINGLAQ-NKWVEPMBSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.98
TPSA
50.36
LogP / Solubility
WLOGP
0.34
MLOGP
0.3
XLogP3
0.5
Consensus LogP
0.38
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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