CAS RN: 1452518-88-5
Methyl 4,5-diaminothiophene-2-carboxylate dihydrochloride
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.20251022 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1452518-88-5
- Purity/Analytical Methods: >99.0%
1452518-88-5 / methyl 4,5-diaminothiophene-2-carboxylate;dihydrochloride
Basic Information
CAS
1452518-88-5
Multi CAS
No
Molecular Formula
C6H10Cl2N2O2S
Molecular Weight
245.130000
Exact Mass
243.984004
SMILES
COC(=O)C1=CC(=C(S1)N)N.Cl.Cl
InChI
InChI=1S/C6H8N2O2S.2ClH/c1-10-6(9)4-2-3(7)5(8)11-4;;/h2H,7-8H2,1H3;2*1H
InChIKey
YDLQRAQFZCQSQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
58.98
TPSA
78.34
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
.gif)
Pyrrolidin-3-ylMethanol hydrochloride hydrate
- CAS RN: 1452519-32-2
- Product Code: starshine_CAS1452519-32-2
- Purity/Analytical method: >99.0%
-
2-(2-chloropyridin-3-yl)-2-methylpropanoic acid
- CAS RN: 1452561-74-8
- Product Code: SSC-056607
-
5-Bromo-2-chloro-4-(trifluoromethyl)phenylboronicacid
- CAS RN: 1452574-71-8
- Product Code: starshine_CAS1452574-71-8
- Purity/Analytical method: >99.0%
-
.gif)
2,5-Difluoro-4-ethoxyphenylboronic acid
- CAS RN: 1452575-83-5
- Product Code: starshine_CAS1452575-83-5
- Purity/Analytical method: >99.0%
-
![CAS 1452577-24-0 1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22688972(1).gif)
1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]ethanone
- CAS RN: 1452577-24-0
- Product Code: starshine_CAS1452577-24-0
- Purity/Analytical method: >99.0%
-
HUHS015
- CAS RN: 1453097-13-6
- Product Code: starshine_CAS1453097-13-6
- Purity/Analytical method: >99.0%