CAS RN: 1289585-27-8
(R)-1-BOC-3-Chloro-pyrrolidine
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.20260302 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1289585-27-8
- Purity/Analytical Methods: >99.0%
1289585-27-8 / tert-butyl (3R)-3-chloropyrrolidine-1-carboxylate
Basic Information
CAS
1289585-27-8
Multi CAS
No
Molecular Formula
C9H16ClNO2
Molecular Weight
205.680000
Exact Mass
205.086956
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)Cl
InChI
InChI=1S/C9H16ClNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKey
BFJADPWUALFXHF-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.07
TPSA
29.54
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
1.9
Consensus LogP
2.03
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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