CAS RN: 2177263-70-4
3-AMINO-3-(FURAN-2-YL)PROPANOIC 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.20250409 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2177263-70-4
- Purity/Analytical Methods: >99.0%
2177263-70-4 / 3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
Basic Information
CAS
2177263-70-4
Multi CAS
No
Molecular Formula
C7H10ClNO3
Molecular Weight
191.610000
Exact Mass
191.034921
SMILES
C1=COC(=C1)C(CC(=O)O)N.Cl
InChI
InChI=1S/C7H9NO3.ClH/c8-5(4-7(9)10)6-2-1-3-11-6;/h1-3,5H,4,8H2,(H,9,10);1H
InChIKey
OWQPNOKUHDOIBK-UHFFFAOYSA-N
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
45.14
TPSA
76.46
LogP / Solubility
WLOGP
1.18
MLOGP
1.03
XLogP3
1.18
Consensus LogP
1.13
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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