![CAS 1000933-67-4 Furo[2,3-d]pyrimidin-4-amine, 2-(chloromethyl)-5,6-diphenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000933-67-4.gif)
CAS RN: 1000933-67-4
Furo[2,3-d]pyrimidin-4-amine, 2-(chloromethyl)-5,6-diphenyl-
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.20250217 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1000933-67-4
- Purity/Analytical Methods: >99.0%
1000933-67-4 / 2-(chloromethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
2-(chloromethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine | 1000933-67-4 | MFCD09702314
Basic Information
CAS
1000933-67-4
Multi CAS
No
Molecular Formula
C19H14ClN3O
Molecular Weight
335.800000
Exact Mass
335.082540
SMILES
C1=CC=C(C=C1)C2=C(OC3=NC(=NC(=C23)N)CCl)C4=CC=CC=C4
InChI
InChI=1S/C19H14ClN3O/c20-11-14-22-18(21)16-15(12-7-3-1-4-8-12)17(24-19(16)23-14)13-9-5-2-6-10-13/h1-10H,11H2,(H2,21,22,23)
InChIKey
FMEVTKZWXSFLTQ-UHFFFAOYSA-N
Synonyms
2-(chloromethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
1000933-67-4
MFCD09702314
CS-0244693
EN300-28902
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
96.65
TPSA
64.94
LogP / Solubility
WLOGP
4.88
MLOGP
4.31
XLogP3
4.3
Consensus LogP
4.5
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.25
Class (SILICOS-IT)
Insoluble
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)
-1.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1000981-74-7 3,4-DIHYDRO-1H-PYRIDO[1,2-A]PYRIMIDIN-6(2H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000981-74-7.gif)