CAS RN: 1181680-53-4
Benzenepropanoic acid, 3-bromo-α-hydroxy-
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.20250408 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-018007
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1181680-53-4 / 3-(3-bromophenyl)-2-hydroxypropanoic acid
3-(3-bromophenyl)-2-hydroxypropanoic acid | MFCD11920573 | SCHEMBL2030081
Basic Information
CAS
1181680-53-4
Multi CAS
No
Molecular Formula
C9H9BrO3
Molecular Weight
245.070000
Exact Mass
243.973510
SMILES
C1=CC(=CC(=C1)Br)CC(C(=O)O)O
InChI
InChI=1S/C9H9BrO3/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChIKey
OFYPQDRVYPCUPM-UHFFFAOYSA-N
Synonyms
3-(3-bromophenyl)-2-hydroxypropanoic acid
MFCD11920573
SCHEMBL2030081
3-Bromo-a-hydroxybenzenepropanoic acid
AKOS015149706
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.49
TPSA
57.53
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.8
Consensus LogP
1.5
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-3.19
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
-
EMD638683
- CAS RN: 1181770-72-8
- Product Code: starshine_CAS1181770-72-8
- Purity/Analytical method: >99.0%
-
Benzoic acid, 2-ethyl-4-Methoxy-3-Methyl-
- CAS RN: 1181770-76-2
- Product Code: starshine_CAS1181770-76-2
- Purity/Analytical method: >99.0%
-
tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate
- CAS RN: 1181816-12-5
- Product Code: SSC-018019
-
ethyl 3-(benzyloxy)-1-cyanocyclobutane-1-carboxylate
- CAS RN: 1181816-13-6
- Product Code: SSC-018020
-
N-[(11bR)-8,9,10,11,12,13,14,15-octahydro-4-oxido-2,6-di-9-phenanthrenyldinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide
- CAS RN: 1181834-74-1
- Product Code: starshine_CAS1181834-74-1
- Purity/Analytical method: >99.0%
-
![CAS 1181816-12-5 tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1181816-12-5.gif)
![CAS 1181834-74-1 N-[(11bR)-8,9,10,11,12,13,14,15-octahydro-4-oxido-2,6-di-9-phenanthrenyldinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1181834-74-1.gif)
![CAS 1181864-34-5 1H-PYRROLO[2,3-B]PYRIDIN-3-YL ACETATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1181864-34-5.gif)