![CAS 1933460-19-5 4H-Pyrrolo[3,2-d]pyrimidin-4-one, 1-[[2-[(1R)-1-aminoethyl]-4-chlorophenyl]methyl]-1,2,3,5-tetrahydro-2-thioxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1933460-19-5.gif)
CAS RN: 1933460-19-5
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 1-[[2-[(1R)-1-aminoethyl]-4-chlorophenyl]methyl]-1,2,3,5-tetrahydro-2-thioxo-
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.20250904 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1933460-19-5
- Purity/Analytical Methods: >99.0%
1933460-19-5 / 1-[[2-[(1R)-1-aminoethyl]-4-chlorophenyl]methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one
Basic Information
CAS
1933460-19-5
Multi CAS
No
Molecular Formula
C15H15ClN4OS
Molecular Weight
334.800000
Exact Mass
334.065510
SMILES
C[C@H](C1=C(C=CC(=C1)Cl)CN2C3=C(C(=O)NC2=S)NC=C3)N
InChI
InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1
InChIKey
BHKKSKOHRFHHIN-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
90.9
TPSA
79.6
LogP / Solubility
WLOGP
3.11
MLOGP
2.75
XLogP3
1.7
Consensus LogP
2.52
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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