CAS RN: 14676-03-0
3-((tert-Butoxycarbonyl)amino)-3-(furan-2-yl)propanoic acid
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.20260129 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB898480
14676-03-0 / 3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
14676-03-0
Multi CAS
No
Molecular Formula
C12H17NO5
Molecular Weight
255.270000
Exact Mass
255.110673
SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CO1
InChI
InChI=1S/C12H17NO5/c1-12(2,3)18-11(16)13-8(7-10(14)15)9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
NTIWANHPRXTWCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.07
TPSA
88.77
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
1.1
Consensus LogP
1.82
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
Methyl 3-((tert-butoxycarbonyl)amino)propanoate
- CAS RN: 42116-55-2
- Product Code: SSC-150438
-
3-(1-(tetrahydro-2H-pyran-2-yl)-5-(1-trityl-1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl)phenol
- CAS RN: 395104-16-2
- Product Code: LINH926635
-
3-(1-METHYL-1H-IMIDAZOL-2-YL)-PHENYL BORONIC ACID
- CAS RN: 1404466-88-1
- Product Code: SSC-051080
-
3-(1-Amino-2-hydroxyethyl)phenol hydrochloride
- CAS RN: 146812-68-2
- Product Code: SSC-057740
-
3-(1H-BENZO[D]IMIDAZOL-2-YL)-4-CHLOROANILINE
- CAS RN: 313402-16-3
- Product Code: LINH927132
-
![CAS 313402-16-3 3-(1H-BENZO[D]IMIDAZOL-2-YL)-4-CHLOROANILINE molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/313402-16-3.png)
