![CAS 797047-27-9 Carbamimidothioic acid, N,N’-bis[(ethylamino)carbonyl]-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/797047-27-9.gif)
CAS RN: 797047-27-9
Carbamimidothioic acid, N,N’-bis[(ethylamino)carbonyl]-, methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251016 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS797047-27-9
- Purity/Analytical Methods: >99.0%
797047-27-9 / methyl N,N'-bis(ethylcarbamoyl)carbamimidothioate
Basic Information
CAS
797047-27-9
Multi CAS
Yes
Molecular Formula
C8H16N4O2S
Molecular Weight
232.310000
Exact Mass
232.099397
InChI
InChI=1S/C8H16N4O2S/c1-4-9-6(13)11-8(15-3)12-7(14)10-5-2/h4-5H2,1-3H3,(H3,9,10,11,12,13,14)
InChIKey
AQHIFTQCTDCFMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
62.23
TPSA
82.59
LogP / Solubility
WLOGP
0.75
MLOGP
0.67
XLogP3
1.3
Consensus LogP
0.91
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6
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
-
1-(5-Fluoro-2-hydroxyphenyl)-2-(triphenylphosphoranylidene)ethanone
- CAS RN: 797054-15-0
- Product Code: SSC-188827
-
(E)-(4R)-4,5-Isopropylidene-dioxy-1-(2-hydroxy-5-fluorophenyl)propenone
- CAS RN: 797054-17-2
- Product Code: SSC-188828
-
(1’S,2S)-2-[(1’,2’-O-Isopropylidene)dihydroxyethyl]-6-fluorochroman-4-one
- CAS RN: 797054-20-7
- Product Code: SSC-188829
-
2′-bromospiro[cyclopentane-1,9′-fluorene]
- CAS RN: 797056-47-4
- Product Code: starshine_CAS797056-47-4
- Purity/Analytical method: >99.0%
-
-
1H-Pyrrolo[2,3-b]pyridine-2,5-dicarboxylic acid, 5-Methyl ester
- CAS RN: 797060-48-1
- Product Code: SSC-188833
![CAS 797054-20-7 (1’S,2S)-2-[(1’,2’-O-Isopropylidene)dihydroxyethyl]-6-fluorochroman-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/797054-20-7.gif)
![CAS 797056-47-4 2′-bromospiro[cyclopentane-1,9′-fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/797056-47-4.gif)
![CAS 797056-48-5 2′-broMospiro[cyclohexane-1,9′-fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/797056-48-5.gif)
![CAS 797060-48-1 1H-Pyrrolo[2,3-b]pyridine-2,5-dicarboxylic acid, 5-Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/797060-48-1.gif)