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CAS 72030-87-6 5-(4-NITRO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 72030-87-6

5-(4-NITRO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250416 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250409 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250723 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260605 5g In stock Shenzhen, Chengdu Inquiry
  • Product code: starshine_CAS72030-87-6
  • Purity/Analytical Methods: >99.0%
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72030-87-6 / ethyl 5-(4-nitrophenyl)-1,3-oxazole-4-carboxylate

Standard CAS: 72030-87-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72030-87-6
Multi CAS
No
Molecular Formula
C12H10N2O5
Molecular Weight
262.220000
Exact Mass
262.058971
InChI
InChI=1S/C12H10N2O5/c1-2-18-12(15)10-11(19-7-13-10)8-3-5-9(6-4-8)14(16)17/h3-7H,2H2,1H3
InChIKey
WFXGNVYQHVQFKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
64.55
TPSA
95.47

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.4
Consensus LogP
2.32
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly 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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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