CAS RN: 321596-54-7
3-(Benzyloxy)-6-broMo-4-Methoxypicolinic 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.20260226 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS321596-54-7
- Purity/Analytical Methods: >99.0%
321596-54-7 / 6-bromo-4-methoxy-3-phenylmethoxypyridine-2-carboxylic acid
Basic Information
CAS
321596-54-7
Multi CAS
No
Molecular Formula
BC14H12O4Rn
Molecular Weight
338.150000
Exact Mass
336.994970
InChI
InChI=1S/C14H12BrNO4/c1-19-10-7-11(15)16-12(14(17)18)13(10)20-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,17,18)
InChIKey
UUPAQQMDUURGBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.22
TPSA
68.65
LogP / Solubility
WLOGP
3.13
MLOGP
2.77
XLogP3
3.2
Consensus LogP
3.03
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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