CAS RN: 1820687-49-7
Diethyl 5-BroMopyriMidine-4,6-dicarboxylate
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.20250328 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-082894
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 5g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1820687-49-7 / diethyl 5-bromopyrimidine-4,6-dicarboxylate
Basic Information
CAS
1820687-49-7
Multi CAS
No
Molecular Formula
C10H11BrN2O4
Molecular Weight
303.110000
Exact Mass
301.990220
SMILES
CCOC(=O)C1=C(C(=NC=N1)C(=O)OCC)Br
InChI
InChI=1S/C10H11BrN2O4/c1-3-16-9(14)7-6(11)8(13-5-12-7)10(15)17-4-2/h5H,3-4H2,1-2H3
InChIKey
QNNRCTZJUZGRMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
61.65
TPSA
78.38
LogP / Solubility
WLOGP
1.59
MLOGP
1.41
XLogP3
2
Consensus LogP
1.67
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
(3-chloroisoquinolin-7-yl)methanol
- CAS RN: 1820687-50-0
- Product Code: starshine_CAS1820687-50-0
- Purity/Analytical method: >99.0%
-
1-(5-(Aminomethyl)-2-methoxyphenyl)-N,N-dimethylmethanamine dihydrochloride
- CAS RN: 1820687-70-4
- Product Code: starshine_CAS1820687-70-4
- Purity/Analytical method: >99.0%
-
-
5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-2-amine dihydrochloride
- CAS RN: 1820703-96-5
- Product Code: SSC-082897
-
3-(1H-Tetrazol-5-yl)morpholine hydrochloride
- CAS RN: 1820705-11-0
- Product Code: SSC-082901
-
2-(Allyloxy)-6-broMo-4-Methoxybenzyl Alcohol
- CAS RN: 1820705-12-1
- Product Code: SSC-082902
![CAS 1820703-11-4 2-Aza-spiro[3.3]heptan-6-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1820703-11-4.gif)
![CAS 1820703-96-5 5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-2-amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1820703-96-5.gif)
