CAS RN: 108392-76-3
D-4-CHLOROPHENYLGLYCINE HCL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251015 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS108392-76-3
- Purity/Analytical Methods: >99.0%
108392-76-3 / (2R)-2-amino-2-(4-chlorophenyl)acetic acid;hydrochloride
(4-Chlorophenyl)glycinehydrochloride | SCHEMBL11718612 | (4-chlorophenyl)glycine hydrochloride
Basic Information
CAS
108392-76-3
Multi CAS
Yes
Molecular Formula
C8H9Cl2NO2
Molecular Weight
222.070000
Exact Mass
221.001034
SMILES
C1=CC(=CC=C1[C@H](C(=O)O)N)Cl.Cl
InChI
InChI=1S/C8H8ClNO2.ClH/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7H,10H2,(H,11,12);1H/t7-;/m1./s1
InChIKey
VDZFBXOENJDFCO-OGFXRTJISA-N
Synonyms
(4-Chlorophenyl)glycinehydrochloride
SCHEMBL11718612
(4-chlorophenyl)glycine hydrochloride
CS-0170992
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.26
TPSA
63.32
LogP / Solubility
WLOGP
1.85
MLOGP
1.63
XLogP3
1.85
Consensus LogP
1.78
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.76
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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![CAS 108437-46-3 9-(phenylmethyl)-3,9-Diazabicyclo[4.2.1]nonane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/108437-46-3.gif)
