CAS RN: 2701679-69-6
L-Phenylalanine, chloro-, hydrochloride (1:2)
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.20250613 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2701679-69-6
- Purity/Analytical Methods: >99.0%
2701679-69-6 / (2S)-2-amino-3-(6-chloro-3-pyridinyl)propanoic acid;hydrochloride
Basic Information
CAS
2701679-69-6
Multi CAS
No
Molecular Formula
C8H10Cl2N2O2
Molecular Weight
237.080000
Exact Mass
236.011933
SMILES
C1=CC(=NC=C1C[C@@H](C(=O)O)N)Cl.Cl
InChI
InChI=1S/C8H9ClN2O2.ClH/c9-7-2-1-5(4-11-7)3-6(10)8(12)13;/h1-2,4,6H,3,10H2,(H,12,13);1H/t6-;/m0./s1
InChIKey
RKLWRMOVQUQMAH-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.81
TPSA
76.21
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
1.11
Consensus LogP
1.07
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
1-(Naphthalen-2-yl)propan-1-amine hydrochloride
- CAS RN: 2701987-79-1
- Product Code: starshine_CAS2701987-79-1
- Purity/Analytical method: >99.0%
-
1-(5-fluoro-2-methylphenyl)ethanamine
- CAS RN: 2702068-03-7
- Product Code: starshine_CAS2702068-03-7
- Purity/Analytical method: >99.0%
-
2,6-Piperidinedione, 3-(1,3-dihydro-4-hydroxy-1-oxo-2H-isoindol-2-yl)-, (3S)-
- CAS RN: 2702457-63-2
- Product Code: starshine_CAS2702457-63-2
- Purity/Analytical method: >99.0%
-
Benzenemethanamine, α,2-dimethyl-3-(trifluoromethyl)-, hydrochloride (1:1), (αS)-
- CAS RN: 2703745-60-0
- Product Code: starshine_CAS2703745-60-0
- Purity/Analytical method: >99.0%
-
hydrochloride
- CAS RN: 2703745-64-4
- Product Code: starshine_CAS2703745-64-4
- Purity/Analytical method: >99.0%
-
1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-6-methoxy-, 2-(1,1-dimethylethyl) ester, (1S)-
- CAS RN: 2703745-74-6
- Product Code: starshine_CAS2703745-74-6
- Purity/Analytical method: >99.0%
