![CAS 1095822-90-4 6,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1095822-90-4.gif)
CAS RN: 1095822-90-4
6,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic 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.20250909 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-010952
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 | Shenzhen | Inquiry |
1095822-90-4 / 6,7-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxylic acid
6,7-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDINE-4-CARBOXYLIC ACID | MFCD20527790 | 6,7-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxylic acid
Basic Information
CAS
1095822-90-4
Multi CAS
Yes
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
SMILES
CC1=CC2=C(N=CN=C2N1C)C(=O)O
InChI
InChI=1S/C9H9N3O2/c1-5-3-6-7(9(13)14)10-4-11-8(6)12(5)2/h3-4H,1-2H3,(H,13,14)
InChIKey
IZIIOZZUYXXPSF-UHFFFAOYSA-N
Synonyms
6,7-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDINE-4-CARBOXYLIC ACID
MFCD20527790
6,7-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxylic acid
SCHEMBL12590794
AS-79213
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.21
TPSA
68.01
LogP / Solubility
WLOGP
0.97
MLOGP
0.86
XLogP3
0.9
Consensus LogP
0.91
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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