![CAS 1234616-65-9 6-bromo-2-chloropyrido[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1234616-65-9.gif)
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
1234616-65-9 / 6-bromo-2-chloropyrido[2,3-d]pyrimidine
Basic Information
CAS
1234616-65-9
Multi CAS
No
Molecular Formula
C7H3BrClN3
Molecular Weight
244.470000
Exact Mass
242.919890
SMILES
C1=C2C=NC(=NC2=NC=C1Br)Cl
InChI
InChI=1S/C7H3BrClN3/c8-5-1-4-2-11-7(9)12-6(4)10-3-5/h1-3H
InChIKey
WEYJDKGLVMTHCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
50.04
TPSA
38.67
LogP / Solubility
WLOGP
2.44
MLOGP
2.15
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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