![CAS 1260761-86-1 Methyl 4-chloropyrido[2,3-d]pyrimidine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260761-86-1.gif)
CAS RN: 1260761-86-1
Methyl 4-chloropyrido[2,3-d]pyrimidine-2-carboxylate
- Product code: SSC-031991
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 | Hong Kong | Inquiry |
1260761-86-1 / methyl 4-chloropyrido[2,3-d]pyrimidine-2-carboxylate
Basic Information
CAS
1260761-86-1
Multi CAS
No
Molecular Formula
C9H6ClN3O2
Molecular Weight
223.610000
Exact Mass
223.014854
SMILES
COC(=O)C1=NC2=C(C=CC=N2)C(=N1)Cl
InChI
InChI=1S/C9H6ClN3O2/c1-15-9(14)8-12-6(10)5-3-2-4-11-7(5)13-8/h2-4H,1H3
InChIKey
KDCFBDLMQJDMPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
53.68
TPSA
64.97
LogP / Solubility
WLOGP
1.46
MLOGP
1.29
XLogP3
2
Consensus LogP
1.58
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-3.04
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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