CAS RN: 321596-55-8
4,6-Dibromo-3-hydroxypyridine-2-carboxylic acid methyl ester
- Product code: SSC-137696
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 | Shenzhen | Inquiry |
321596-55-8 / methyl 4,6-dibromo-3-hydroxypyridine-2-carboxylate
Basic Information
CAS
321596-55-8
Multi CAS
No
Molecular Formula
C7H5BR2NO3
Molecular Weight
310.930000
Exact Mass
310.861570
InChI
InChI=1S/C7H5Br2NO3/c1-13-7(12)5-6(11)3(8)2-4(9)10-5/h2,11H,1H3
InChIKey
WNFLHCVLPYFOGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.64
TPSA
59.42
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
3
Consensus LogP
2.32
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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