CAS RN: 35016-63-8
(S)-2-Bromo-3-phenylpropionic 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.20251214 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS35016-63-8
- Purity/Analytical Methods: >99.0%
35016-63-8 / 2-bromo-3-phenylpropanoic acid
Basic Information
CAS
35016-63-8
Multi CAS
Yes
Molecular Formula
C9H9BRO2
Molecular Weight
229.070000
Exact Mass
227.978590
InChI
InChI=1S/C9H9BrO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m0/s1
InChIKey
WDRSCFNERFONKU-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.5
TPSA
37.3
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
2.6
Consensus LogP
2.17
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-2.64
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
-
![CAS 35017-55-1 4-[(4-METHYLPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-[(4-METHYLPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID
- CAS RN: 35017-55-1
- Product Code: SSC-141726
-
(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine
- CAS RN: 35019-66-0
- Product Code: starshine_CAS35019-66-0
- Purity/Analytical method: >99.0%
-
DANSYL-L-ALANINE PIPERIDINIUM SALT
- CAS RN: 35021-10-4
- Product Code: starshine_CAS35021-10-4
- Purity/Analytical method: >99.0%
-
-
H-L-MEALA-OME HCL
- CAS RN: 35023-55-3
- Product Code: starshine_CAS35023-55-3
- Purity/Analytical method: >99.0%
-
![CAS 35017-55-1 4-[(4-METHYLPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35017-55-1.gif)
