![CAS 2097068-59-0 3-Bromo-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097068-59-0.png)
CAS RN: 2097068-59-0
3-Bromo-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid ethyl ester
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260212 | 100mg | In stock | Tianjin, Wuhan | Inquiry | |
| Batchno.20260113 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251002 | 1g | In stock | Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250615 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: starshine_CAS2097068-59-0
- Purity/Analytical Methods: >99.0%
2097068-59-0 / ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
Basic Information
CAS
2097068-59-0
Multi CAS
No
Molecular Formula
C10H9BrN2O2
Molecular Weight
269.090000
Exact Mass
267.984740
SMILES
CCOC(=O)C1=CC=C2N1C=C(C=N2)Br
InChI
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-3-4-9-12-5-7(11)6-13(8)9/h3-6H,2H2,1H3
InChIKey
ZLULEIWULSBAJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.85
TPSA
43.6
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
3
Consensus LogP
2.43
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly 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)
-2.75
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
-
1-tert-Butoxycarbonylamino-3,3-difluoro-cyclobutanecarboxylic acid methyl ester
- CAS RN: 2097068-68-1
- Product Code: SSC-099494
-
(S)-1-Amino-indan-4-ol hydrochloride
- CAS RN: 2097073-09-9
- Product Code: starshine_CAS2097073-09-9
- Purity/Analytical method: >99.0%
-
-
(S)-2-(PYRROLIDIN-2-YL)PYRIDINE DIHYDROCHLORIDE
- CAS RN: 2097073-17-9
- Product Code: SSC-099497
-
(R)-1-Amino-indan-4-ol hydrochloride
- CAS RN: 2097073-21-5
- Product Code: starshine_CAS2097073-21-5
- Purity/Analytical method: >99.0%
-
5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)-
- CAS RN: 2097117-06-9
- Product Code: SSC-099500
![CAS 2097117-06-9 5-Thiazolecarboxamide, N-[(2S)-2-(4-chlorophenyl)-2-(4-morpholinyl)ethyl]-2-(2-pyrimidinyl)-4-(trifluoromethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097117-06-9.png)