![CAS 743440-25-7 2-[[(5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO]PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2183088.gif)
CAS RN: 743440-25-7
2-[[(5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO]PROPANOIC ACID
- Product code: SSC-183788
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 | Shenzhen | Inquiry |
743440-25-7 / 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid
Basic Information
CAS
743440-25-7
Multi CAS
No
Molecular Formula
C12H14N2O3S2
Molecular Weight
298.400000
Exact Mass
298.044585
InChI
InChI=1S/C12H14N2O3S2/c1-5-6(2)19-11-9(5)10(15)13-8(14-11)4-18-7(3)12(16)17/h7H,4H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKey
XNKLDESMLLWUPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
78.11
TPSA
83.05
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
2.1
Consensus LogP
2.15
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 743440-26-8 Benzoic acid, 2-[(2-methylphenyl)methoxy]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
(2E)-2-CYANO-3-[1-(2-METHOXYETHYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ACRYLIC ACID
- CAS RN: 743440-54-2
- Product Code: SSC-183790
-
(6-METHYL-2,4-DIOXO-1,3-DIAZA-SPIRO[4.5]DEC-3-YL)-ACETIC ACID
- CAS RN: 743441-93-2
- Product Code: SSC-183791
-
2-CHLORO-1-(7-ETHYL-1H-INDOL-3-YL)-2-PHENYLETHANONE
- CAS RN: 743441-97-6
- Product Code: SSC-183792
-
6-AMINO-5-[(2-METHOXYETHYL)AMINO]-1-PROPYLPYRIMIDINE-2,4(1H,3H)-DIONE
- CAS RN: 743442-00-4
- Product Code: SSC-183793
-
3-(3-BUTYL-2,6-DIOXO-7-PENTYL-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)-PROPIONIC ACID
- CAS RN: 743442-01-5
- Product Code: SSC-183794
![CAS 743440-26-8 Benzoic acid, 2-[(2-methylphenyl)methoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/743440-26-8.gif)
![CAS 743440-54-2 (2E)-2-CYANO-3-[1-(2-METHOXYETHYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ACRYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1402719.gif)
![CAS 743441-93-2 (6-METHYL-2,4-DIOXO-1,3-DIAZA-SPIRO[4.5]DEC-3-YL)-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2496559.gif)
![CAS 743442-00-4 6-AMINO-5-[(2-METHOXYETHYL)AMINO]-1-PROPYLPYRIMIDINE-2,4(1H,3H)-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2141921.gif)
