CAS RN: 64640-12-6
2-(CHLOROMETHYL)-5-(4-CHLOROPHENYL)1,3-OXAZOLE, 97+%
Product Availability
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4 package records2 with current stock1 grade group
- Product code: starshine_CAS64640-12-6
- Purity/Analytical Methods: >99.0%
64640-12-6 / 2-(chloromethyl)-5-(4-chlorophenyl)-1,3-oxazole
Basic Information
CAS
64640-12-6
Multi CAS
Yes
Molecular Formula
C10H7CL2NO
Molecular Weight
228.070000
Exact Mass
226.990469
InChI
InChI=1S/C10H7Cl2NO/c11-5-10-13-6-9(14-10)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKey
CJIWAFOZOWCQFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
56.51
TPSA
26.03
LogP / Solubility
WLOGP
3.73
MLOGP
3.29
XLogP3
3.1
Consensus LogP
3.37
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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