CAS RN: 1207175-70-9
(4-bromothiazol-2-yl)methanamine hydrochloride
- Product code: SSC-021894
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 | Shenzhen | Inquiry |
1207175-70-9 / (4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride
(4-bromothiazol-2-yl)methanamine hydrochloride | (4-BROMOTHIAZOL-2-YL)METHANAMINE HCL | MFCD09878587
Basic Information
CAS
1207175-70-9
Multi CAS
No
Molecular Formula
C4H6BrClN2S
Molecular Weight
229.530000
Exact Mass
227.912360
SMILES
C1=C(N=C(S1)CN)Br.Cl
InChI
InChI=1S/C4H5BrN2S.ClH/c5-3-2-8-4(1-6)7-3;/h2H,1,6H2;1H
InChIKey
GCYLPOFJYZDHDE-UHFFFAOYSA-N
Synonyms
(4-bromothiazol-2-yl)methanamine hydrochloride
(4-BROMOTHIAZOL-2-YL)METHANAMINE HCL
MFCD09878587
1-(4-BROMO-1,3-THIAZOL-2-YL)METHANAMINE HYDROCHLORIDE
(4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.95
TPSA
38.91
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1.79
Consensus LogP
1.72
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
tert-butyl 5-bromo-3-hydroxypyridin-2-ylcarbamate
- CAS RN: 1207175-73-2
- Product Code: SSC-021895
-
tert-Butyl 5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
- CAS RN: 1207175-93-6
- Product Code: SSC-021896
-
2-(3-(((tert-Butoxycarbonyl)amino)methyl)oxetan-3-yl)acetic acid
- CAS RN: 1207175-98-1
- Product Code: SSC-021897
-
-
tert-butyl 4-(aMinoMethyl)-4-cyanopiperidine-1-carboxylate
- CAS RN: 1207178-51-5
- Product Code: SSC-021901
-
Psidial A
- CAS RN: 1207181-35-8
- Product Code: starshine_CAS1207181-35-8
- Purity/Analytical method: >99.0%
![CAS 1207175-93-6 tert-Butyl 5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1207175-93-6.gif)
