CAS RN: 490034-68-9
(S)-3-AMINO-3-(3-HYDROXY-PHENYL)-PROPIONIC ACID HYDROCHLORIDE
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.20250824 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS490034-68-9
- Purity/Analytical Methods: >99.0%
490034-68-9 / (3S)-3-amino-3-(3-hydroxyphenyl)propanoic acid;hydrochloride
Basic Information
CAS
490034-68-9
Multi CAS
Yes
Molecular Formula
C9H12CLNO3
Molecular Weight
217.650000
Exact Mass
217.050571
InChI
InChI=1S/C9H11NO3.ClH/c10-8(5-9(12)13)6-2-1-3-7(11)4-6;/h1-4,8,11H,5,10H2,(H,12,13);1H/t8-;/m0./s1
InChIKey
QHRKZONXXHSZTA-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
54.54
TPSA
83.55
LogP / Solubility
WLOGP
1.29
MLOGP
1.14
XLogP3
1.29
Consensus LogP
1.24
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-3.13
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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