CAS RN: 1391514-45-6
(2R)-2-(2-BROMO-5-FLUOROPHENYL)PYRROLIDINE HCl
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.20260128 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1391514-45-6
- Purity/Analytical Methods: >99.0%
1391514-45-6 / (2R)-2-(2-bromo-5-fluorophenyl)pyrrolidine;hydrochloride
Basic Information
CAS
1391514-45-6
Multi CAS
No
Molecular Formula
C10H12BrClFN
Molecular Weight
280.560000
Exact Mass
278.982570
SMILES
C1C[C@@H](NC1)C2=C(C=CC(=C2)F)Br.Cl
InChI
InChI=1S/C10H11BrFN.ClH/c11-9-4-3-7(12)6-8(9)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H/t10-;/m1./s1
InChIKey
MQZUYNPQTUXEGZ-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.33
TPSA
12.03
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
3.43
Consensus LogP
3.3
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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