![CAS 1030203-81-6 2-[[1-(3-Chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]propanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1030203-81-6.gif)
CAS RN: 1030203-81-6
2-[[1-(3-Chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]propanamide
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251104 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS1030203-81-6
- Purity/Analytical Methods: >99.0%
1030203-81-6 / 2-[[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]propanamide
HS38 | HS 38 | 2-((1-(3-Chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamide
Basic Information
CAS
1030203-81-6
Multi CAS
Yes
Molecular Formula
C14H12ClN5O2S
Molecular Weight
349.800000
Exact Mass
349.040024
SMILES
CC(C(=O)N)SC1=NC2=C(C=NN2C3=CC(=CC=C3)Cl)C(=O)N1
InChI
InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
InChIKey
NASYEGAVCTZSDO-UHFFFAOYSA-N
Synonyms
HS38
HS 38
2-((1-(3-Chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamide
orb1700390
CHEMBL5303531
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
89.01
TPSA
106.66
LogP / Solubility
WLOGP
1.73
MLOGP
1.54
XLogP3
1.9
Consensus LogP
1.72
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 1030253-98-5 1,4-DIOXA-9-THIA-12-AZADISPIRO[4.2.4.2]TETRADECANE-11-CARBOXYLIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1,4-DIOXA-9-THIA-12-AZADISPIRO[4.2.4.2]TETRADECANE-11-CARBOXYLIC ACID
- CAS RN: 1030253-98-5
- Product Code: starshine_CAS1030253-98-5
- Purity/Analytical method: >99.0%
-
2-deoxy-2-[(1-oxo-4-pentyn-1-yl)amino]-D-glucose
- CAS RN: 1030262-99-7
- Product Code: SSC-004445
-
4-(ISOCYANOMETHYL)BENZOIC ACID METHYL ESTER
- CAS RN: 1030268-89-3
- Product Code: SSC-004446
-
-
2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLHYDRAZINE HYDROCHLORIDE
- CAS RN: 1030313-53-1
- Product Code: SSC-004470
-
4-(aminomethyl)tetrahydro-2H-pyran-4-carboxamide
- CAS RN: 1030364-98-7
- Product Code: SSC-004471
![CAS 1030253-98-5 1,4-DIOXA-9-THIA-12-AZADISPIRO[4.2.4.2]TETRADECANE-11-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5756595.gif)
![CAS 1030262-99-7 2-deoxy-2-[(1-oxo-4-pentyn-1-yl)amino]-D-glucose molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1030262-99-7.gif)
