CAS RN: 1620675-68-4
(6S,8aR)-3-Oxooctahydroindolizine-6-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250509 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINS901008
1620675-68-4 / (6S,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
Basic Information
CAS
1620675-68-4
Multi CAS
No
Molecular Formula
C9H13NO3
Molecular Weight
183.200000
Exact Mass
183.089543
SMILES
C1C[C@@H](CN2[C@H]1CCC2=O)C(=O)O
InChI
InChI=1S/C9H13NO3/c11-8-4-3-7-2-1-6(9(12)13)5-10(7)8/h6-7H,1-5H2,(H,12,13)/t6-,7+/m0/s1
InChIKey
WFQSFUFRBIREPZ-NKWVEPMBSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.09
TPSA
57.61
LogP / Solubility
WLOGP
0.47
MLOGP
0.41
XLogP3
-0.1
Consensus LogP
0.26
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.5
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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