Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2377033-82-2 / 1-(3-bromo-2-pyridinyl)ethanamine;dihydrochloride
Basic Information
CAS
2377033-82-2
Multi CAS
No
Molecular Formula
C7H11BrCl2N2
Molecular Weight
273.980000
Exact Mass
271.948270
SMILES
CC(C1=C(C=CC=N1)Br)N.Cl.Cl
InChI
InChI=1S/C7H9BrN2.2ClH/c1-5(9)7-6(8)3-2-4-10-7;;/h2-5H,9H2,1H3;2*1H
InChIKey
RJXDYWIOKKTXDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.04
TPSA
38.91
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2377173-47-0
- Product Code: starshine_CAS2377173-47-0
- Purity/Analytical method: >99.0%
-
Spiro[benzofuran-2(3H),4′-piperidin]-3-amine, 1′-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-, (3R)-
- CAS RN: 2377352-49-1
- Product Code: starshine_CAS2377352-49-1
- Purity/Analytical method: >99.0%
-
tert-butyl 4-fluoro-1-oxo-1,3-dihydrospiro[indene-2,4′-piperidine]-1′-carboxylate
- CAS RN: 2377354-94-2
- Product Code: SSC-115641
-
Spiro[2H-indene-2,4′-piperidine]-1′-carboxylic acid, 5-bromo-3-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-1,3-dihydro-, 1,1-dimethylethyl ester, (3S)-
- CAS RN: 2377355-25-2
- Product Code: SSC-115644
-
Spiro[6H-cyclopenta[b]pyridine-6,4′-piperidin]-5-amine, 5,7-dihydro-, hydrochloride (1:2), (5S)-
- CAS RN: 2377355-48-9
- Product Code: SSC-115646
-
![CAS 2377352-49-1 Spiro[benzofuran-2(3H),4′-piperidin]-3-amine, 1′-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-, (3R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377352-49-1.gif)
![CAS 2377354-94-2 tert-butyl 4-fluoro-1-oxo-1,3-dihydrospiro[indene-2,4′-piperidine]-1′-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377354-94-2.gif)
![CAS 2377355-25-2 Spiro[2H-indene-2,4′-piperidine]-1′-carboxylic acid, 5-bromo-3-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-1,3-dihydro-, 1,1-dimethylethyl ester, (3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377355-25-2.gif)
![CAS 2377355-48-9 Spiro[6H-cyclopenta[b]pyridine-6,4′-piperidin]-5-amine, 5,7-dihydro-, hydrochloride (1:2), (5S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377355-48-9.gif)
