![CAS 1353958-23-2 1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-[1,4]diazepane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62578130(1).gif)
CAS RN: 1353958-23-2
1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-[1,4]diazepane 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.20251028 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-043680
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | >95% | 0 Out of Stock | Beijing | Inquiry |
1353958-23-2 / 1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepane;hydrochloride
Basic Information
CAS
1353958-23-2
Multi CAS
No
Molecular Formula
C11H19ClN4OS
Molecular Weight
290.810000
Exact Mass
290.096810
SMILES
COC1=NC(=NC(=C1)N2CCCNCC2)SC.Cl
InChI
InChI=1S/C11H18N4OS.ClH/c1-16-10-8-9(13-11(14-10)17-2)15-6-3-4-12-5-7-15;/h8,12H,3-7H2,1-2H3;1H
InChIKey
ANVKPSPDTBMZHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
77.31
TPSA
50.28
LogP / Solubility
WLOGP
1.43
MLOGP
1.27
XLogP3
1.43
Consensus LogP
1.38
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-3.48
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
-
![CAS 1353958-38-9 (2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl-Methanone hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl-Methanone hydrochloride
- CAS RN: 1353958-38-9
- Product Code: starshine_CAS1353958-38-9
- Purity/Analytical method: >99.0%
-
(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-(3-Methyl-piperazin-1-yl)-Methanone hydrochloride
- CAS RN: 1353958-43-6
- Product Code: starshine_CAS1353958-43-6
- Purity/Analytical method: >99.0%
-
3-(2,4-Dichloro-phenylsulfanylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353958-55-0
- Product Code: starshine_CAS1353958-55-0
- Purity/Analytical method: >99.0%
-
(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-Methanone hydrochloride
- CAS RN: 1353958-63-0
- Product Code: starshine_CAS1353958-63-0
- Purity/Analytical method: >99.0%
-
3-(Benzooxazol-2-ylaMino)-pyrrolidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353958-77-6
- Product Code: starshine_CAS1353958-77-6
- Purity/Analytical method: >99.0%
-
“3-(5-Nitro-pyridin-2-ylsulfanylMethyl)-piperidine-1-carboxylic acid tert-butyl ester”
- CAS RN: 1353958-98-1
- Product Code: starshine_CAS1353958-98-1
- Purity/Analytical method: >99.0%
![CAS 1353958-38-9 (2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52575066(1).gif)
![CAS 1353958-43-6 (2,3-Dihydro-benzo[1,4]dioxin-6-yl)-(3-Methyl-piperazin-1-yl)-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62575063(1).gif)
.gif)
![CAS 1353958-63-0 (2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62575058(1).gif)
.gif)
.gif)