CAS RN: 1053656-12-4
Ethyl 1-thiocarbamoylmethylpiperidine-4-carboxylate
- Product code: SSC-007108
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 | Beijing | Inquiry |
1053656-12-4 / ethyl 1-(2-amino-2-sulfanylideneethyl)piperidine-4-carboxylate
ethyl 1-(2-amino-2-thioxoethyl)piperidine-4-carboxylate | ETHYL 1-THIOCARBAMOYLMETHYLPIPERIDINE-4-CARBOXYLATE | MFCD11052375
Basic Information
CAS
1053656-12-4
Multi CAS
No
Molecular Formula
C10H18N2O2S
Molecular Weight
230.330000
Exact Mass
230.108899
SMILES
CCOC(=O)C1CCN(CC1)CC(=S)N
InChI
InChI=1S/C10H18N2O2S/c1-2-14-10(13)8-3-5-12(6-4-8)7-9(11)15/h8H,2-7H2,1H3,(H2,11,15)
InChIKey
UGZRKTFQMVWSEI-UHFFFAOYSA-N
Synonyms
ethyl 1-(2-amino-2-thioxoethyl)piperidine-4-carboxylate
ETHYL 1-THIOCARBAMOYLMETHYLPIPERIDINE-4-CARBOXYLATE
MFCD11052375
ethyl 1-(2-amino-2-sulfanylideneethyl)piperidine-4-carboxylate
ethyl 1-(carbamothioylmethyl)piperidine-4-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.58
TPSA
55.56
LogP / Solubility
WLOGP
0.55
MLOGP
0.49
XLogP3
0.5
Consensus LogP
0.51
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1053656-22-6 7-tert-butyl 2-ethyl 5,6-dihydroimidazo[1,2-a]pyrazine-2,7(8H)-dicarboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
7-tert-butyl 2-ethyl 5,6-dihydroimidazo[1,2-a]pyrazine-2,7(8H)-dicarboxylate
- CAS RN: 1053656-22-6
- Product Code: SSC-007110
-
Ethyl5-(4-bromophenyl)-[1,2,4]oxadiazole-3-carboxylate
- CAS RN: 1053656-27-1
- Product Code: SSC-007112
-
2-benzyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
- CAS RN: 1053656-29-3
- Product Code: starshine_CAS1053656-29-3
- Purity/Analytical method: >99.0%
-
ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate
- CAS RN: 1053656-33-9
- Product Code: SSC-007113
-
methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
- CAS RN: 1053656-37-3
- Product Code: SSC-007115
-
5-tert-butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate
- CAS RN: 1053656-51-1
- Product Code: SSC-007116
![CAS 1053656-22-6 7-tert-butyl 2-ethyl 5,6-dihydroimidazo[1,2-a]pyrazine-2,7(8H)-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053656-22-6.gif)
![CAS 1053656-27-1 Ethyl5-(4-bromophenyl)-[1,2,4]oxadiazole-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053656-27-1.gif)
![CAS 1053656-33-9 ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053656-33-9.gif)
![CAS 1053656-37-3 methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053656-37-3.gif)
![CAS 1053656-51-1 5-tert-butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053656-51-1.gif)