CAS RN: 1192069-13-8
(S)-3-AMINO-3-(2-THIENYL)-PROPIONIC 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.20251212 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1192069-13-8
- Purity/Analytical Methods: >99.0%
1192069-13-8 / (3S)-3-amino-3-thiophen-2-ylpropanoic acid;hydrochloride
(S)-3-Amino-3-(thiophen-2-yl)propanoic acid hydrochloride | MFCD03427833 | (S)-3-Amino-3-(thiophen-2-yl)propanoicacidhydrochloride
Basic Information
CAS
1192069-13-8
Multi CAS
Yes
Molecular Formula
C7H10ClNO2S
Molecular Weight
207.680000
Exact Mass
207.012077
SMILES
C1=CSC(=C1)[C@H](CC(=O)O)N.Cl
InChI
InChI=1S/C7H9NO2S.ClH/c8-5(4-7(9)10)6-2-1-3-11-6;/h1-3,5H,4,8H2,(H,9,10);1H/t5-;/m0./s1
InChIKey
LAAXNLCUHPEQSS-JEDNCBNOSA-N
Synonyms
(S)-3-Amino-3-(thiophen-2-yl)propanoic acid hydrochloride
MFCD03427833
(S)-3-Amino-3-(thiophen-2-yl)propanoicacidhydrochloride
(S)-3-Amino-3-(2-thienyl)-propionic acid hydrochloride
(3S)-3-amino-3-thiophen-2-ylpropanoic acid;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.75
TPSA
63.32
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.82
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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