![CAS 1638763-34-4 6-bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638763-34-4.gif)
CAS RN: 1638763-34-4
6-bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine
- Product code: SSC-071352
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: 0.1g, 0.25g, 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.
1638763-34-4 / 6-bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
1638763-34-4
Multi CAS
No
Molecular Formula
C6H3BrClN3
Molecular Weight
232.460000
Exact Mass
230.919890
SMILES
C1=C(NC2=NC(=NC=C21)Cl)Br
InChI
InChI=1S/C6H3BrClN3/c7-4-1-3-2-9-6(8)11-5(3)10-4/h1-2H,(H,9,10,11)
InChIKey
LINGCYUTYXJAJX-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
46.6
TPSA
41.57
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
2.6
Consensus LogP
2.35
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1638763-37-7 5-bromo-2-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5-bromo-2-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
- CAS RN: 1638763-37-7
- Product Code: SSC-071353
-
tert-butyl 6-amino-2-azaspiro[3.4]octane-2-carboxylate
- CAS RN: 1638763-38-8
- Product Code: SSC-071354
-
6-Methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
- CAS RN: 1638763-44-6
- Product Code: SSC-071355
-
methyl 5-bromo-4,6-difluoro-1H-indole-3-carboxylate
- CAS RN: 1638763-46-8
- Product Code: SSC-071356
-
3-METHYL-1H-PYRROLO[2,3-B]PYRIDINE-4-CARBALDEHYDE
- CAS RN: 1638763-53-7
- Product Code: starshine_CAS1638763-53-7
- Purity/Analytical method: >99.0%
-
![CAS 1638763-37-7 5-bromo-2-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638763-37-7.gif)
![CAS 1638763-38-8 tert-butyl 6-amino-2-azaspiro[3.4]octane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638763-38-8.gif)
![CAS 1638763-44-6 6-Methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638763-44-6.gif)
![CAS 1638763-53-7 3-METHYL-1H-PYRROLO[2,3-B]PYRIDINE-4-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638763-53-7.gif)
