CAS RN: 153152-32-0
(S)-4-Chlorokynurenine
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.20250517 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS153152-32-0
- Purity/Analytical Methods: >99.0%
153152-32-0 / (2S)-2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
Basic Information
CAS
153152-32-0
Multi CAS
No
Molecular Formula
C10H11ClN2O3
Molecular Weight
242.660000
Exact Mass
242.045820
SMILES
C1=CC(=C(C=C1Cl)N)C(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C10H11ClN2O3/c11-5-1-2-6(7(12)3-5)9(14)4-8(13)10(15)16/h1-3,8H,4,12-13H2,(H,15,16)/t8-/m0/s1
InChIKey
HQLHZNDJQSRKDT-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
60.42
TPSA
106.41
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
-1.6
Consensus LogP
0.04
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
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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