CAS RN: 1087751-63-0
S-2-Quinolinealanine hihydrochloride
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.20260114 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1087751-63-0
- Purity/Analytical Methods: >99.0%
1087751-63-0 / (2S)-2-amino-3-quinolin-2-ylpropanoic acid;hydrochloride
(S)-2-Amino-3-(quinolin-2-yl)propanoic acid hydrochloride | (S)-2-Amino-3-(quinolin-2-yl)propanoicacidhydrochloride | (2S)-2-amino-3-quinolin-2-ylpropanoic acid;hydrochloride
Basic Information
CAS
1087751-63-0
Multi CAS
Yes
Molecular Formula
C12H13ClN2O2
Molecular Weight
252.690000
Exact Mass
252.066555
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C12H12N2O2.ClH/c13-10(12(15)16)7-9-6-5-8-3-1-2-4-11(8)14-9;/h1-6,10H,7,13H2,(H,15,16);1H/t10-;/m0./s1
InChIKey
FXQMKKMNLQZEMJ-PPHPATTJSA-N
Synonyms
(S)-2-Amino-3-(quinolin-2-yl)propanoic acid hydrochloride
(S)-2-Amino-3-(quinolin-2-yl)propanoicacidhydrochloride
(2S)-2-amino-3-quinolin-2-ylpropanoic acid;hydrochloride
CS-0438930
F765014
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.31
TPSA
76.21
LogP / Solubility
WLOGP
1.61
MLOGP
1.42
XLogP3
1.61
Consensus LogP
1.55
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
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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