CAS RN: 340311-03-7
1-(3-Bromophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
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.20251127 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS340311-03-7
- Purity/Analytical Methods: >99.0%
340311-03-7 / 1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Basic Information
CAS
340311-03-7
Multi CAS
No
Molecular Formula
BC10H7O2Rn2S
Molecular Weight
299.150000
Exact Mass
297.941160
InChI
InChI=1S/C10H7BrN2O2S/c11-6-2-1-3-7(4-6)13-9(15)5-8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)
InChIKey
RTIYLLVUZSECDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.99
TPSA
49.41
LogP / Solubility
WLOGP
1.59
MLOGP
1.41
XLogP3
1.9
Consensus LogP
1.63
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
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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