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CAS 1555623-55-6 1555623-55-6 molecular structure lightbox
CAS RN: 1555623-55-6

1555623-55-6

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 100mg Out of stock Inquiry
Batchno.20250817 1g Out of stock Inquiry
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Batchno.20250210 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1555623-55-6
  • Purity/Analytical Methods: >99.0%
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1555623-55-6 / 2-chloro-1,3-oxazole-5-carboxylic acid

Standard CAS: 1555623-55-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1555623-55-6
Multi CAS
No
Molecular Formula
C4H2ClNO3
Molecular Weight
147.510000
Exact Mass
146.972321
SMILES
C1=C(OC(=N1)Cl)C(=O)O
InChI
InChI=1S/C4H2ClNO3/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
InChIKey
YPVRRKXUYHUYGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.47
TPSA
63.33

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
1.2
Consensus LogP
1.04
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

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

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