CAS RN: 1263286-07-2
5-Acetyl-2-bromo-benzoic acid methyl ester
- Product code: SSC-033420
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 | Beijing | Inquiry |
1263286-07-2 / methyl 5-acetyl-2-bromobenzoate
Basic Information
CAS
1263286-07-2
Multi CAS
No
Molecular Formula
C10H9BrO3
Molecular Weight
257.080000
Exact Mass
255.973510
SMILES
CC(=O)C1=CC(=C(C=C1)Br)C(=O)OC
InChI
InChI=1S/C10H9BrO3/c1-6(12)7-3-4-9(11)8(5-7)10(13)14-2/h3-5H,1-2H3
InChIKey
XPHIAVRWXRZWGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
55.49
TPSA
43.37
LogP / Solubility
WLOGP
2.44
MLOGP
2.15
XLogP3
3.2
Consensus LogP
2.6
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Methyl 2-chloro-6-forMylpyridine-3-carboxylate
- CAS RN: 1263286-09-4
- Product Code: SSC-033421
-
-
“tert-butyl 4-(3-aMino-1H-1,2,4-triazol-5-yl)piperazine-1-carboxylate”
- CAS RN: 1263286-45-8
- Product Code: starshine_CAS1263286-45-8
- Purity/Analytical method: >99.0%
-
Pyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile, 4-chloro-
- CAS RN: 1263286-52-7
- Product Code: starshine_CAS1263286-52-7
- Purity/Analytical method: >99.0%
-
-
Ethyl (1α,8α,9β)-bicyclo[6.1.0]non-4-ene-9-carboxylate
- CAS RN: 1263291-39-9
- Product Code: SSC-033426
![CAS 1263286-52-7 Pyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile, 4-chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1263286-52-7.gif)
![CAS 1263286-57-2 3-broMo-[1,2,4]triazolo[4,3-a]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1263286-57-2.gif)
![CAS 1263291-39-9 Ethyl (1α,8α,9β)-bicyclo[6.1.0]non-4-ene-9-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1263291-39-9.gif)