[email protected]
CAS 54903-10-5 6-CHLOROACETYL-2-BENZOXAZOLINONE 97 molecular structure lightbox
CAS RN: 54903-10-5

6-CHLOROACETYL-2-BENZOXAZOLINONE 97

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS54903-10-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

54903-10-5 / 6-(2-chloroacetyl)-3H-1,3-benzoxazol-2-one

Standard CAS: 54903-10-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54903-10-5
Multi CAS
Yes
Molecular Formula
C9H6CLNO3
Molecular Weight
211.600000
Exact Mass
211.003621
InChI
InChI=1S/C9H6ClNO3/c10-4-7(12)5-1-2-6-8(3-5)14-9(13)11-6/h1-3H,4H2,(H,11,13)
InChIKey
KOOWFDRPKXUCRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.89
TPSA
63.07

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1.5
Consensus LogP
1.47
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.92

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us