![CAS 1132690-77-7 4-CHLORO-6,7,8,9-TETRAHYDROBENZOFURO[3,2-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1132690-77-7.gif)
CAS RN: 1132690-77-7
4-CHLORO-6,7,8,9-TETRAHYDROBENZOFURO[3,2-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.20250127 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1132690-77-7
- Purity/Analytical Methods: >99.0%
1132690-77-7 / 4-chloro-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidine
4-CHLORO-6,7,8,9-TETRAHYDROBENZOFURO[3,2-D]PYRIMIDINE | MFCD31555685 | SCHEMBL2801998
Basic Information
CAS
1132690-77-7
Multi CAS
No
Molecular Formula
C10H9ClN2O
Molecular Weight
208.640000
Exact Mass
208.040341
SMILES
C1CCC2=C(C1)C3=C(O2)C(=NC=N3)Cl
InChI
InChI=1S/C10H9ClN2O/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h5H,1-4H2
InChIKey
FBWZRSMQWFNMSI-UHFFFAOYSA-N
Synonyms
4-CHLORO-6,7,8,9-TETRAHYDROBENZOFURO[3,2-D]PYRIMIDINE
MFCD31555685
SCHEMBL2801998
FBWZRSMQWFNMSI-UHFFFAOYSA-N
BS-44606
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
2.9
Consensus LogP
2.7
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
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