![CAS 1935891-73-8 4,7-Dichloro-5H-pyrrolo[3,2-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1935891-73-8.gif)
CAS RN: 1935891-73-8
4,7-Dichloro-5H-pyrrolo[3,2-d]pyrimidine
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.20260425 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1935891-73-8
- Purity/Analytical Methods: >99.0%
1935891-73-8 / 4,7-dichloro-5H-pyrrolo[3,2-d]pyrimidine
Basic Information
CAS
1935891-73-8
Multi CAS
No
Molecular Formula
C6H3Cl2N3
Molecular Weight
188.010000
Exact Mass
186.970403
SMILES
C1=C(C2=C(N1)C(=NC=N2)Cl)Cl
InChI
InChI=1S/C6H3Cl2N3/c7-3-1-9-5-4(3)10-2-11-6(5)8/h1-2,9H
InChIKey
OUMHFLZOELBXKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.91
TPSA
41.57
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2
Consensus LogP
2.08
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately 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)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1935900-29-0 Tert-Butyl 4,6,7,8-Tetrahydropyrazolo[4,3-C]Azepine-5(2H)-Carboxylate(WXC01380) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Tert-Butyl 4,6,7,8-Tetrahydropyrazolo[4,3-C]Azepine-5(2H)-Carboxylate(WXC01380)
- CAS RN: 1935900-29-0
- Product Code: SSC-091212
-
4-Bromo-6-fluoro-2-(hydroxymethyl)benzimidazole
- CAS RN: 1935913-37-3
- Product Code: SSC-091218
-
Benzoic acid, 4-bromo-2-(bromomethyl)-6-fluoro-, methyl ester
- CAS RN: 1935921-64-4
- Product Code: SSC-091223
-
3-Bromo-5-chloro-1H-pyrazolo[4,3-d]pyrimidine
- CAS RN: 1935930-11-2
- Product Code: SSC-091224
-
5-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
- CAS RN: 1935940-95-6
- Product Code: starshine_CAS1935940-95-6
- Purity/Analytical method: >99.0%
-
![CAS 1935900-29-0 Tert-Butyl 4,6,7,8-Tetrahydropyrazolo[4,3-C]Azepine-5(2H)-Carboxylate(WXC01380) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1935900-29-0.gif)
![CAS 1935930-11-2 3-Bromo-5-chloro-1H-pyrazolo[4,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB03132133(1).gif)
![CAS 1935940-95-6 5-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1935940-95-6.gif)
.gif)