CAS RN: 1194-87-2
L-ALPHA-(3-THIENYL)GLYCINE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-019946
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1194-87-2 / (2S)-2-amino-2-thiophen-3-ylacetic acid
2-Amino-2-(thiophen-3-yl)acetic acid | RefChem:463486 | 830-278-6
Basic Information
CAS
1194-87-2
Multi CAS
Yes
Molecular Formula
C6H7NO2S
Molecular Weight
157.190000
Exact Mass
157.019750
SMILES
C1=CSC=C1[C@@H](C(=O)O)N
InChI
InChI=1S/C6H7NO2S/c7-5(6(8)9)4-1-2-10-3-4/h1-3,5H,7H2,(H,8,9)/t5-/m0/s1
InChIKey
BVGBBSAQOQTNGF-YFKPBYRVSA-N
Synonyms
2-Amino-2-(thiophen-3-yl)acetic acid
RefChem:463486
830-278-6
Amino-thiophen-3-yl-acetic acid
2-Amino-2-(3-thienyl)acetic acid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.88
TPSA
63.32
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
-2
Consensus LogP
-0.15
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
