CAS RN: 490034-67-8
(S)-3-AMINO-3-(2-HYDROXY-PHENYL)-PROPANOIC ACID HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260503 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251015 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250106 | 1g | In stock | Shenzhen, Chengdu | Inquiry | |
| Batchno.20250708 | 250mg | In stock | Shenzhen, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS490034-67-8
- Purity/Analytical Methods: >99.0%
490034-67-8 / 3-amino-3-(2-hydroxyphenyl)propanoic acid;hydrochloride
Basic Information
CAS
490034-67-8
Multi CAS
Yes
Molecular Formula
C9H12CLNO3
Molecular Weight
217.650000
Exact Mass
217.050571
InChI
InChI=1S/C9H11NO3.ClH/c10-7(5-9(12)13)6-3-1-2-4-8(6)11;/h1-4,7,11H,5,10H2,(H,12,13);1H/t7-;/m0./s1
InChIKey
XTCOJZXICXSLRC-FJXQXJEOSA-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
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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