CAS RN: 2049127-84-4
(R)-Methyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate 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.20251115 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2049127-84-4
- Purity/Analytical Methods: >99.0%
2049127-84-4 / methyl (2R)-2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochloride
Basic Information
CAS
2049127-84-4
Multi CAS
No
Molecular Formula
C11H16ClNO4S
Molecular Weight
293.770000
Exact Mass
293.048857
SMILES
COC(=O)[C@@H](CC1=CC(=CC=C1)S(=O)(=O)C)N.Cl
InChI
InChI=1S/C11H15NO4S.ClH/c1-16-11(13)10(12)7-8-4-3-5-9(6-8)17(2,14)15;/h3-6,10H,7,12H2,1-2H3;1H/t10-;/m1./s1
InChIKey
VUUYKOLKOIYVCR-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.5
TPSA
86.46
LogP / Solubility
WLOGP
0.55
MLOGP
0.5
XLogP3
0.55
Consensus LogP
0.53
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12
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
-
(R)-Benzyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride
- CAS RN: 2049127-88-8
- Product Code: starshine_CAS2049127-88-8
- Purity/Analytical method: >99.0%
-
5-(3,5-Difluorophenyl)-4,5-dihydro-1H-pyrazole
- CAS RN: 2049868-30-4
- Product Code: SSC-096431
-
(S)-2,2-dimethyl-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
- CAS RN: 2049868-46-2
- Product Code: SSC-096432
-
1-Propanone, 1-[(5R)-4,5-dihydro-5-phenyl-1H-pyrazol-1-yl]-2,2-dimethyl-
- CAS RN: 2049872-86-6
- Product Code: starshine_CAS2049872-86-6
- Purity/Analytical method: >99.0%
-
3H-Imidazo[1,2-a]pyrrolo[2,3-e]pyrazine, 8-[(3R,4S)-4-ethyl-3-pyrrolidinyl]-, hydrochloride (1:2)
- CAS RN: 2050038-84-9
- Product Code: starshine_CAS2050038-84-9
- Purity/Analytical method: >99.0%
-
mPEG12-OH
- CAS RN: 2050595-03-2
- Product Code: starshine_CAS2050595-03-2
- Purity/Analytical method: >99.0%
![CAS 2049872-86-6 1-Propanone, 1-[(5R)-4,5-dihydro-5-phenyl-1H-pyrazol-1-yl]-2,2-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2049872-86-6.png)
![CAS 2050038-84-9 3H-Imidazo[1,2-a]pyrrolo[2,3-e]pyrazine, 8-[(3R,4S)-4-ethyl-3-pyrrolidinyl]-, hydrochloride (1:2) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2050038-84-9.png)
