![CAS 1404373-76-7 2-chloro-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1404373-76-7.gif)
CAS RN: 1404373-76-7
2-chloro-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride
- Product code: SSC-051062
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 | Beijing | Inquiry |
1404373-76-7 / 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
Basic Information
CAS
1404373-76-7
Multi CAS
No
Molecular Formula
C6H5Cl2N3O
Molecular Weight
206.030000
Exact Mass
204.980967
SMILES
C1C2=CN=C(N=C2NC1=O)Cl.Cl
InChI
InChI=1S/C6H4ClN3O.ClH/c7-6-8-2-3-1-4(11)9-5(3)10-6;/h2H,1H2,(H,8,9,10,11);1H
InChIKey
JFGBLYHQRSOZBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.62
TPSA
54.88
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
1.05
Consensus LogP
1.01
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.87
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)
-3.23
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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![CAS 1404431-47-5 7-BROMO-3,7B-DIHYDRO-1H-CYCLOPROPA[C]QUINOLIN-2(1AH)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1404431-47-5.gif)
![CAS 1404431-48-6 7-BROMO-1A,2,3,7B-TETRAHYDRO-1H-CYCLOPROPA[C]QUINOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1404431-48-6.gif)