![CAS 1131992-34-1 6-Bromo-2,4-dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1131992-34-1.gif)
CAS RN: 1131992-34-1
6-Bromo-2,4-dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260610 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1131992-34-1
- Purity/Analytical Methods: >99.0%
1131992-34-1 / 6-bromo-2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine
6-Bromo-2,4-dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine | MFCD27987434 | 6-bromo-2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine
Basic Information
CAS
1131992-34-1
Multi CAS
No
Molecular Formula
C7H4BrCl2N3
Molecular Weight
280.930000
Exact Mass
278.896570
SMILES
CN1C(=CC2=C1N=C(N=C2Cl)Cl)Br
InChI
InChI=1S/C7H4BrCl2N3/c1-13-4(8)2-3-5(9)11-7(10)12-6(3)13/h2H,1H3
InChIKey
JMCXONIOYKMBGO-UHFFFAOYSA-N
Synonyms
6-Bromo-2,4-dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
MFCD27987434
6-bromo-2,4-dichloro-7-methylpyrrolo[2,3-d]pyrimidine
C7H4BrCl2N3
SCHEMBL3705661
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
3.6
Consensus LogP
3.11
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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