CAS RN: 103889-79-8
(R)-2-amino-2-(2-methoxyphenyl)acetic 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.20251129 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS103889-79-8
- Purity/Analytical Methods: >99.0%
103889-79-8 / (2R)-2-amino-2-(2-methoxyphenyl)acetic acid;hydrochloride
2-Amino-2-(2-methoxyphenyl)acetic acid hydrochloride | RefChem:463363 | 859-464-5
Basic Information
CAS
103889-79-8
Multi CAS
Yes
Molecular Formula
C9H12ClNO3
Molecular Weight
217.650000
Exact Mass
217.050571
SMILES
COC1=CC=CC=C1[C@H](C(=O)O)N.Cl
InChI
InChI=1S/C9H11NO3.ClH/c1-13-7-5-3-2-4-6(7)8(10)9(11)12;/h2-5,8H,10H2,1H3,(H,11,12);1H/t8-;/m1./s1
InChIKey
BKBZFMACMXQMMJ-DDWIOCJRSA-N
Synonyms
2-Amino-2-(2-methoxyphenyl)acetic acid hydrochloride
RefChem:463363
859-464-5
2-amino-2-(2-methoxyphenyl)aceticacidhydrochloride
2-amino-2-(2-methoxyphenyl)acetic acid;hydrochloride
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
2
Molar refractivity
54.81
TPSA
72.55
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately 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)
-3.19
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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