CAS RN: 2055841-13-7
1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine hydrochloride
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.20260220 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2055841-13-7
- Purity/Analytical Methods: >99.0%
2055841-13-7 / 1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine;hydrochloride
Basic Information
CAS
2055841-13-7
Multi CAS
No
Molecular Formula
C7H9BrClN3
Molecular Weight
250.520000
Exact Mass
248.966840
SMILES
C1CC1(C2=NC=C(C=N2)Br)N.Cl
InChI
InChI=1S/C7H8BrN3.ClH/c8-5-3-10-6(11-4-5)7(9)1-2-7;/h3-4H,1-2,9H2;1H
InChIKey
CIGGBVYBDOOIHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.08
TPSA
51.8
LogP / Solubility
WLOGP
1.61
MLOGP
1.42
XLogP3
1.61
Consensus LogP
1.55
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11
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
-
(1S,2R)-rel-2-(4-ethoxy-3-fluorophenyl)cyclopropan-1-amine hydrochloride
- CAS RN: 2055841-15-9
- Product Code: SSC-096802
-
1-Piperidinecarboxylic acid, 3-[3-(methoxycarbonyl)phenyl]-, 1,1-dimethylethyl ester
- CAS RN: 2055841-21-7
- Product Code: SSC-096803
-
(piperidin-4-yl)methyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate hydrochloride
- CAS RN: 2055841-23-9
- Product Code: SSC-096804
-
-
2,3-dibromo-6-methoxy-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 2055841-29-5
- Product Code: SSC-096806
-
![CAS 2055841-21-7 1-Piperidinecarboxylic acid, 3-[3-(methoxycarbonyl)phenyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055841-21-7.png)
![CAS 2055841-29-5 2,3-dibromo-6-methoxy-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055841-29-5.png)
![CAS 2055841-30-8 2-{5-azaspiro[2.4]heptan-7-yl}acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055841-30-8.png)