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CAS 1770-36-1 6-Bromo-1,4-dimethylquinoxaline-2,3(1H,4H)-dione molecular structure lightbox
CAS RN: 1770-36-1

6-Bromo-1,4-dimethylquinoxaline-2,3(1H,4H)-dione

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260411 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250929 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250826 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260701 250mg In stock Tianjin Inquiry
Batchno.20260118 5g In stock Shenzhen Inquiry
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1770-36-1 / 6-bromo-1,4-dimethylquinoxaline-2,3-dione

6-bromo-1,4-dimethyl-1,4-dihydroquinoxaline-2,3-dione | 6-Bromo-1,4-dimethylquinoxaline-2,3(1H,4H)-dione | 6-bromo-1,4-dimethylquinoxaline-2,3-dione

Standard CAS: 1770-36-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1770-36-1
Multi CAS
No
Molecular Formula
BC10H9O2Rn2
Molecular Weight
269.090000
Exact Mass
267.984740
SMILES
CN1C2=C(C=C(C=C2)Br)N(C(=O)C1=O)C
InChI
InChI=1S/C10H9BrN2O2/c1-12-7-4-3-6(11)5-8(7)13(2)10(15)9(12)14/h3-5H,1-2H3
InChIKey
JKFMIMJEBVNKOA-UHFFFAOYSA-N
Synonyms
6-bromo-1,4-dimethyl-1,4-dihydroquinoxaline-2,3-dione 6-Bromo-1,4-dimethylquinoxaline-2,3(1H,4H)-dione 6-bromo-1,4-dimethylquinoxaline-2,3-dione MFCD00957063 6-bromo-1,4-dimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.2
H-bond acceptors
4
Molar refractivity
62.13
TPSA
44

LogP / Solubility

WLOGP
1
MLOGP
0.89
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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