![CAS 1095822-24-4 Methyl 6,7-dihydro-6-oxo-5H-Pyrrolo[2,3-d]pyrimidine-4-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1095822-24-4.gif)
CAS RN: 1095822-24-4
Methyl 6,7-dihydro-6-oxo-5H-Pyrrolo[2,3-d]pyrimidine-4-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251009 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1095822-24-4
- Purity/Analytical Methods: >99.0%
1095822-24-4 / methyl 6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidine-4-carboxylate
METHYL 6,7-DIHYDRO-6-OXO-5H-PYRROLO[2,3-D]PYRIMIDINE-4-CARBOXYLATE | methyl 6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidine-4-carboxylate | MFCD17015874
Basic Information
CAS
1095822-24-4
Multi CAS
No
Molecular Formula
C8H7N3O3
Molecular Weight
193.160000
Exact Mass
193.048741
SMILES
COC(=O)C1=C2CC(=O)NC2=NC=N1
InChI
InChI=1S/C8H7N3O3/c1-14-8(13)6-4-2-5(12)11-7(4)10-3-9-6/h3H,2H2,1H3,(H,9,10,11,12)
InChIKey
BTITZWDWJHRMDJ-UHFFFAOYSA-N
Synonyms
METHYL 6,7-DIHYDRO-6-OXO-5H-PYRROLO[2,3-D]PYRIMIDINE-4-CARBOXYLATE
methyl 6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidine-4-carboxylate
MFCD17015874
METHYL 6-OXO-5H,6H,7H-PYRROLO[2,3-D]PYRIMIDINE-4-CARBOXYLATE
METHYL 6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE-4-CARBOXYLATE
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
45.71
TPSA
81.18
LogP / Solubility
WLOGP
-0.24
MLOGP
-0.21
XLogP3
-0.4
Consensus LogP
-0.28
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.07
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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