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CAS 681491-16-7 (R)-(2-METHYL-6-NITRO-2,3-DIHYDRO-IMIDAZO[2,1-B]OXAZOL-2-YL)-METHANOL molecular structure lightbox
CAS RN: 681491-16-7

(R)-(2-METHYL-6-NITRO-2,3-DIHYDRO-IMIDAZO[2,1-B]OXAZOL-2-YL)-METHANOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260423 100mg / 250mg / 500mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS681491-16-7
  • Purity/Analytical Methods: >99.0%
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681491-16-7 / (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol

Standard CAS: 681491-16-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
681491-16-7
Multi CAS
Yes
Molecular Formula
C7H9N3O4
Molecular Weight
199.160000
Exact Mass
199.059306
InChI
InChI=1S/C7H9N3O4/c1-7(4-11)3-9-2-5(10(12)13)8-6(9)14-7/h2,11H,3-4H2,1H3
InChIKey
UYEAVRLFLZMBSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
45
TPSA
90.42

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.06
XLogP3
-0.2
Consensus LogP
-0.11
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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