![CAS 2044838-29-9 [4-(4-Methyl-1,3-thiazol-5-yl)phenyl]methanamine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044838-29-9.png)
CAS RN: 2044838-29-9
[4-(4-Methyl-1,3-thiazol-5-yl)phenyl]methanamine dihydrochloride
- Product code: SSC-096302
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 | Shanghai | Inquiry |
2044838-29-9 / [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride
Basic Information
CAS
2044838-29-9
Multi CAS
No
Molecular Formula
C11H14Cl2N2S
Molecular Weight
277.200000
Exact Mass
276.025475
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CN.Cl.Cl
InChI
InChI=1S/C11H12N2S.2ClH/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;;/h2-5,7H,6,12H2,1H3;2*1H
InChIKey
RVOMTOKXLQIYDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.67
TPSA
38.91
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
3.42
Consensus LogP
3.29
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
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-(aminomethyl)-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one hydrochloride
- CAS RN: 2044902-51-2
- Product Code: SSC-096307
-
-
2-methyl-4-morpholinobutan-2-amine dihydrochloride
- CAS RN: 2044927-06-0
- Product Code: starshine_CAS2044927-06-0
- Purity/Analytical method: >99.0%
-
![CAS 2044902-51-2 3-(aminomethyl)-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044902-51-2.png)
