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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
286377-20-6 / methyl 4-amino-5-bromo-2-hydroxybenzoate
Basic Information
CAS
286377-20-6
Multi CAS
No
Molecular Formula
BC8H8O3Rn
Molecular Weight
246.060000
Exact Mass
244.968760
InChI
InChI=1S/C8H8BrNO3/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3,11H,10H2,1H3
InChIKey
DSIRIUPZPQOYRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.56
TPSA
72.55
LogP / Solubility
WLOGP
1.52
MLOGP
1.35
XLogP3
2
Consensus LogP
1.62
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-3.14
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
1.5
Customers Also Viewed
-
![CAS 286380-59-4 BIPY531, 2,2′-([2,2′-Bipyridine]-5,5′-diyl)diacetonitrile molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
BIPY531, 2,2′-([2,2′-Bipyridine]-5,5′-diyl)diacetonitrile
- CAS RN: 286380-59-4
- Product Code: starshine_CAS286380-59-4
- Purity/Analytical method: >99.0%
-
7-CHLORO-1,8-NAPHTHYRIDIN-4(1H)-ONE
- CAS RN: 286411-19-6
- Product Code: starshine_CAS286411-19-6
- Purity/Analytical method: >99.0%
-
5-CHLORO-6-METHYL-2-(2-PYRIDYL)PYRIMIDIN-4-OL
- CAS RN: 286430-67-9
- Product Code: starshine_CAS286430-67-9
- Purity/Analytical method: >99.0%
-
-
-
![CAS 286380-59-4 BIPY531, 2,2′-([2,2′-Bipyridine]-5,5′-diyl)diacetonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/286380-59-4.png)
