![CAS 1131992-13-6 5-BroMo-2,4-dichloro-7-Methyl-7H-pyrrolo[2,3-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1131992-13-6.gif)
CAS RN: 1131992-13-6
5-BroMo-2,4-dichloro-7-Methyl-7H-pyrrolo[2,3-d]pyriMidine
- Product code: SSC-013370
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 |
1131992-13-6 / 5-bromo-2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine
5-Bromo-2,4-dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine | 5-bromo-2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine | MFCD23135806
Basic Information
CAS
1131992-13-6
Multi CAS
No
Molecular Formula
C7H4BrCl2N3
Molecular Weight
280.930000
Exact Mass
278.896570
SMILES
CN1C=C(C2=C1N=C(N=C2Cl)Cl)Br
InChI
InChI=1S/C7H4BrCl2N3/c1-13-2-3(8)4-5(9)11-7(10)12-6(4)13/h2H,1H3
InChIKey
DNCFRPAZUPZLCR-UHFFFAOYSA-N
Synonyms
5-Bromo-2,4-dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
5-bromo-2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine
MFCD23135806
SCHEMBL3658945
DTXSID90732489
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
56.23
TPSA
30.71
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
3.2
Consensus LogP
2.97
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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