CAS RN: 695149-42-9
(S)-3-Amino-3-93-hydroxy-phneyl)-propionic 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.20250228 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS695149-42-9
- Purity/Analytical Methods: >99.0%
695149-42-9 / (3S)-3-amino-3-(3-hydroxyphenyl)propanoic acid
Basic Information
CAS
695149-42-9
Multi CAS
Yes
Molecular Formula
C9H11NO3
Molecular Weight
181.190000
Exact Mass
181.073893
InChI
InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKey
NYHNEKBZZXSUNO-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
47.29
TPSA
83.55
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
-2.3
Consensus LogP
-0.22
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
R-3,3′-Bis(phenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate
- CAS RN: 695162-86-8
- Product Code: SSC-179216
-
R-4-oxide-4-hydroxy-2,6-bis(2,4,6-triMethylphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
- CAS RN: 695162-87-9
- Product Code: starshine_CAS695162-87-9
- Purity/Analytical method: >99.0%
-
R-4-oxide-4-hydroxy-2,6-bis(4-Methoxyphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
- CAS RN: 695162-88-0
- Product Code: SSC-179217
-
R-4-oxide-4-hydroxy-2,6-bis(4-nitrophenyl)- Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
- CAS RN: 695162-89-1
- Product Code: SSC-179218
-
-
5-METHYL-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID
- CAS RN: 695191-64-1
- Product Code: SSC-179223
![CAS 695162-87-9 R-4-oxide-4-hydroxy-2,6-bis(2,4,6-triMethylphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/695162-87-9.gif)
![CAS 695162-88-0 R-4-oxide-4-hydroxy-2,6-bis(4-Methoxyphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/695162-88-0.gif)
![CAS 695162-89-1 R-4-oxide-4-hydroxy-2,6-bis(4-nitrophenyl)- Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/695162-89-1.gif)
![CAS 695191-64-1 5-METHYL-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7338894.gif)