CAS RN: 2043769-78-2
(2S)-2-methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
- Product code: SSC-096139
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 |
2043769-78-2 / (2S)-2-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride
Basic Information
CAS
2043769-78-2
Multi CAS
No
Molecular Formula
C5H12ClNO2S
Molecular Weight
185.670000
Exact Mass
185.027728
SMILES
C[C@H]1CNCCS1(=O)=O.Cl
InChI
InChI=1S/C5H11NO2S.ClH/c1-5-4-6-2-3-9(5,7)8;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKey
GCQLYHDANQJFBK-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.37
TPSA
46.17
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.16
XLogP3
-0.19
Consensus LogP
-0.18
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very 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)
-3.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-naphthol
- CAS RN: 2043962-01-0
- Product Code: SSC-096159
-
-
Phenanthro[2,1-c]carbazole-4,16-diol, 1,2,3,4,5,6,9,13d,14,15,16,16a-dodecahydro-1,7,14,16a-tetramethyl-, (1R,4S,4aS,13dS,14R,16R,16aS)-
- CAS RN: 2043963-70-6
- Product Code: starshine_CAS2043963-70-6
- Purity/Analytical method: >99.0%
-
-
HDAC3 Inhibitor
- CAS RN: 2044701-99-5
- Product Code: starshine_CAS2044701-99-5
- Purity/Analytical method: >99.0%
-
3-([2,2′-Bipyridin]-5-yl)-2-aminopropanoic acid hydrochloride
- CAS RN: 2044702-29-4
- Product Code: starshine_CAS2044702-29-4
- Purity/Analytical method: >99.0%
![CAS 2043963-70-6 Phenanthro[2,1-c]carbazole-4,16-diol, 1,2,3,4,5,6,9,13d,14,15,16,16a-dodecahydro-1,7,14,16a-tetramethyl-, (1R,4S,4aS,13dS,14R,16R,16aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2043963-70-6.png)
![CAS 2044702-29-4 3-([2,2′-Bipyridin]-5-yl)-2-aminopropanoic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044702-29-4.png)