![CAS 24889-36-9 4-CHLORO-5,6,7,8-TETRAHYDRO-BENZO[4,5]FURO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24889-36-9.gif)
CAS RN: 24889-36-9
4-CHLORO-5,6,7,8-TETRAHYDRO-BENZO[4,5]FURO[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 | Inquiry |
|---|---|---|---|
| Batchno.20250125 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS24889-36-9
- Purity/Analytical Methods: >99.0%
24889-36-9 / 4-chloro-5,6,7,8-tetrahydro-[1]benzofuro[2,3-d]pyrimidine
Basic Information
CAS
24889-36-9
Multi CAS
No
Molecular Formula
C10H9ClN2O
Molecular Weight
208.640000
Exact Mass
208.040341
SMILES
C1CCC2=C(C1)C3=C(O2)N=CN=C3Cl
InChI
InChI=1S/C10H9ClN2O/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2
InChIKey
XJSLHBFQABWPSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.4
H-bond acceptors
3
Molar refractivity
53.46
TPSA
38.92
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
3.1
Consensus LogP
2.76
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
H-GLY-HIS-OH
- CAS RN: 2489-13-6
- Product Code: starshine_CAS2489-13-6
- Purity/Analytical method: >99.0%
-
-
-
-
-
