![CAS 1211443-58-1 2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211443-58-1.gif)
CAS RN: 1211443-58-1
2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250811 | 1g / 5g / 100g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-022507
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 | Beijing | Inquiry |
1211443-58-1 / 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
ethyl 5-amino-1-(3-chlorophenyl)-1h-pyrazole-4-carboxylate | DTXSID90353890 | RefChem:344226
Basic Information
CAS
1211443-58-1
Multi CAS
Yes
Molecular Formula
C12H12ClN3O2
Molecular Weight
265.690000
Exact Mass
265.061804
SMILES
C1CCC(C1)N2C(=CC3=CN=C(N=C32)Cl)C(=O)O
InChI
InChI=1S/C12H12ClN3O2/c13-12-14-6-7-5-9(11(17)18)16(10(7)15-12)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,17,18)
InChIKey
LXCZVGKSFJMLRO-UHFFFAOYSA-N
Synonyms
ethyl 5-amino-1-(3-chlorophenyl)-1h-pyrazole-4-carboxylate
DTXSID90353890
RefChem:344226
DTXCID40304953
ethyl 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67
TPSA
68.01
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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