CAS RN: 176896-74-5
3-fluoro- L-Phenylalanine, methyl ester, 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.20251212 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS176896-74-5
- Purity/Analytical Methods: >99.0%
176896-74-5 / methyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride
Basic Information
CAS
176896-74-5
Multi CAS
No
Molecular Formula
C10H13ClFNO2
Molecular Weight
233.670000
Exact Mass
233.061885
SMILES
COC(=O)[C@H](CC1=CC(=CC=C1)F)N.Cl
InChI
InChI=1S/C10H12FNO2.ClH/c1-14-10(13)9(12)6-7-3-2-4-8(11)5-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m0./s1
InChIKey
LIYCRVHARXGJKA-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.34
TPSA
52.32
LogP / Solubility
WLOGP
1.29
MLOGP
1.14
XLogP3
1.29
Consensus LogP
1.24
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 176910-67-1 Benzaldehyde, 2-[(4-Methoxyphenyl)ethynyl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Benzaldehyde, 2-[(4-Methoxyphenyl)ethynyl]-
- CAS RN: 176910-67-1
- Product Code: starshine_CAS176910-67-1
- Purity/Analytical method: >99.0%
-
4-OCTYLBENZYLAMINE
- CAS RN: 176956-02-8
- Product Code: starshine_CAS176956-02-8
- Purity/Analytical method: >99.0%
-
Cyclopentanone, 2,5-bis(2-thienylMethylene)-, (E,E)-
- CAS RN: 176957-55-4
- Product Code: SSC-077402
-
1- dimethylethyl 2-(4-bromophenyl)-lΗ-imidazole-l-carboxylate
- CAS RN: 176961-27-6
- Product Code: starshine_CAS176961-27-6
- Purity/Analytical method: >99.0%
-
-
![CAS 176910-67-1 Benzaldehyde, 2-[(4-Methoxyphenyl)ethynyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/176910-67-1.gif)
