CAS RN: 1810074-65-7
(2S)-2-AMINO-3-(4-VINYLPHENYL)PROPANOIC ACID-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.20250705 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1810074-65-7
- Purity/Analytical Methods: >99.0%
1810074-65-7 / (2S)-2-amino-3-(4-ethenylphenyl)propanoic acid;hydrochloride
Basic Information
CAS
1810074-65-7
Multi CAS
No
Molecular Formula
C11H14ClNO2
Molecular Weight
227.690000
Exact Mass
227.071306
SMILES
C=CC1=CC=C(C=C1)C[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C11H13NO2.ClH/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14;/h2-6,10H,1,7,12H2,(H,13,14);1H/t10-;/m0./s1
InChIKey
XLCNVXLTIZNTJQ-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.1
TPSA
63.32
LogP / Solubility
WLOGP
1.71
MLOGP
1.5
XLogP3
1.71
Consensus LogP
1.64
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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