CAS RN: 3672-48-8
5-(4-METHOXYPHENYL)ISOXAZOLE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS3672-48-8
- Purity/Analytical Methods: >99.0%
3672-48-8 / 5-(4-methoxyphenyl)-1,2-oxazole
Basic Information
CAS
3672-48-8
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
InChI
InChI=1S/C10H9NO2/c1-12-9-4-2-8(3-5-9)10-6-7-11-13-10/h2-7H,1H3
InChIKey
KKDKBSQRNCPFCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48.49
TPSA
35.26
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2
Consensus LogP
2.14
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
BOC-D-PHE-OSU
- CAS RN: 3674-18-8
- Product Code: starshine_CAS3674-18-8
- Purity/Analytical method: >99.0%
-
2-NITRO-1,3-INDANDIONE
- CAS RN: 3674-33-7
- Product Code: starshine_CAS3674-33-7
- Purity/Analytical method: >99.0%
-
2-ETHYLPHENANTHRENE
- CAS RN: 3674-74-6
- Product Code: starshine_CAS3674-74-6
- Purity/Analytical method: >99.0%
-
BROMOETHANE-D5
- CAS RN: 3675-63-6
- Product Code: starshine_CAS3675-63-6
- Purity/Analytical method: >99.0%
-
Daidzein diacetate
- CAS RN: 3682-01-7
- Product Code: starshine_CAS3682-01-7
- Purity/Analytical method: >99.0%
.gif)