![CAS 1823277-91-3 Methyl 6,7-dihydro-4H-thieno-[3,2-c]pyran-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823277-91-3.gif)
CAS RN: 1823277-91-3
Methyl 6,7-dihydro-4H-thieno-[3,2-c]pyran-2-carboxylate
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.20260517 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1823277-91-3
- Purity/Analytical Methods: >99.0%
1823277-91-3 / methyl 6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxylate
Basic Information
CAS
1823277-91-3
Multi CAS
No
Molecular Formula
C9H10O3S
Molecular Weight
198.240000
Exact Mass
198.035065
SMILES
COC(=O)C1=CC2=C(S1)CCOC2
InChI
InChI=1S/C9H10O3S/c1-11-9(10)8-4-6-5-12-3-2-7(6)13-8/h4H,2-3,5H2,1H3
InChIKey
LAMSRJMVRBIVNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
49.02
TPSA
35.53
LogP / Solubility
WLOGP
1.61
MLOGP
1.41
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
Di-Tert-Butyl 6-Hydroxy-1,4-Diazepane-1,4-Dicarboxylate
- CAS RN: 1823301-45-6
- Product Code: starshine_CAS1823301-45-6
- Purity/Analytical method: >99.0%
-
-
