CAS RN: 1803837-71-9
6-Methoxy-benzooxazole-2-carboxylic acid methyl ester
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS1803837-71-9
- Purity/Analytical Methods: >99.0%
1803837-71-9 / methyl 6-methoxy-1,3-benzoxazole-2-carboxylate
Basic Information
CAS
1803837-71-9
Multi CAS
No
Molecular Formula
C10H9NO4
Molecular Weight
207.180000
Exact Mass
207.053158
SMILES
COC1=CC2=C(C=C1)N=C(O2)C(=O)OC
InChI
InChI=1S/C10H9NO4/c1-13-6-3-4-7-8(5-6)15-9(11-7)10(12)14-2/h3-5H,1-2H3
InChIKey
SNPLBAJDYLJPJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
51.9
TPSA
61.56
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
1.9
Consensus LogP
1.65
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.83
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
-
2-Methoxy-5-nitro-3-(trifluoromethyl)pyridine
- CAS RN: 1803857-10-4
- Product Code: SSC-081160
-
-
-
3-Pyridinol, 4-(difluoromethyl)-
- CAS RN: 1803997-29-6
- Product Code: starshine_CAS1803997-29-6
- Purity/Analytical method: >99.0%
-
2-(Difluoromethyl)pyridine-3-carboxamide
- CAS RN: 1803997-98-9
- Product Code: starshine_CAS1803997-98-9
- Purity/Analytical method: >99.0%
-
