CAS RN: 885275-49-0
(4-BOC-AMINO-PIPERIDIN-1-YL)-THIOPHEN-3-YL-ACETIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260323 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS885275-49-0
- Purity/Analytical Methods: >99.0%
885275-49-0 / 2-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid
Basic Information
CAS
885275-49-0
Multi CAS
Yes
Molecular Formula
C16H24N2O4S
Molecular Weight
340.400000
Exact Mass
340.145678
InChI
InChI=1S/C16H24N2O4S/c1-16(2,3)22-15(21)17-12-4-7-18(8-5-12)13(14(19)20)11-6-9-23-10-11/h6,9-10,12-13H,4-5,7-8H2,1-3H3,(H,17,21)(H,19,20)
InChIKey
DUDTUPQWOFAGGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
87.95
TPSA
92.86
LogP / Solubility
WLOGP
2.21
MLOGP
1.96
XLogP3
-0.5
Consensus LogP
1.22
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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