![CAS 1832580-83-2 (S)-2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1832580-83-2.gif)
CAS RN: 1832580-83-2
(S)-2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylicacid
- Product code: SSC-084779
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: ≥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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1832580-83-2 / 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Basic Information
CAS
1832580-83-2
Multi CAS
No
Molecular Formula
C10H10ClN3O3
Molecular Weight
255.660000
Exact Mass
255.041069
SMILES
C[C@@H](C1=C(C=NC2=CC(=NN21)Cl)C(=O)O)OC
InChI
InChI=1S/C10H10ClN3O3/c1-5(17-2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9/h3-5H,1-2H3,(H,15,16)/t5-/m0/s1
InChIKey
WQWUFYGKJQHKJL-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.38
TPSA
76.72
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
0.9
Consensus LogP
1.42
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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