![CAS 1192711-79-7 2-Chloro-4-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1192711-79-7.gif)
CAS RN: 1192711-79-7
2-Chloro-4-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
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.20250714 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1192711-79-7
- Purity/Analytical Methods: >99.0%
1192711-79-7 / 2-chloro-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
2-chloro-4-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine | 2-chloro-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine | MFCD20687315
Basic Information
CAS
1192711-79-7
Multi CAS
No
Molecular Formula
C7H6ClN3S
Molecular Weight
199.660000
Exact Mass
198.997096
SMILES
CSC1=NC(=NC2=C1C=CN2)Cl
InChI
InChI=1S/C7H6ClN3S/c1-12-6-4-2-3-9-5(4)10-7(8)11-6/h2-3H,1H3,(H,9,10,11)
InChIKey
ICRQADQROKOHKH-UHFFFAOYSA-N
Synonyms
2-chloro-4-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
2-chloro-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
MFCD20687315
SCHEMBL1019059
ICRQADQROKOHKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.68
TPSA
41.57
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
2.5
Consensus LogP
2.29
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
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
-
![CAS 1192711-88-8 2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-aMine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-aMine
- CAS RN: 1192711-88-8
- Product Code: SSC-019779
-
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]furan
- CAS RN: 1192755-14-8
- Product Code: SSC-019786
-
(Sa,S)-DTB-Bn-SIPHOX-Ir
- CAS RN: 1192772-64-7
- Product Code: starshine_CAS1192772-64-7
- Purity/Analytical method: >99.0%
-
[((Sa,S))-DTB-Ph-SIPHOX)Ir(COD)]BArF
- CAS RN: 1192772-66-9
- Product Code: starshine_CAS1192772-66-9
- Purity/Analytical method: >99.0%
-
2-(4-(trifluoroMethyl)benzyl)propanoic acid
- CAS RN: 1192772-71-6
- Product Code: SSC-019788
-
UV Cleavable Biotin-PEG2-Azide
- CAS RN: 1192802-98-4
- Product Code: starshine_CAS1192802-98-4
- Purity/Analytical method: >99.0%
![CAS 1192711-88-8 2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1192711-88-8.gif)
![CAS 1192755-14-8 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]furan molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1192755-14-8.gif)
![CAS 1192772-66-9 [((Sa,S))-DTB-Ph-SIPHOX)Ir(COD)]BArF molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1192772-66-9.gif)
