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CAS 943311-66-8 6-[(4-Chlorophenyl)sulfinyl]-1,3-dihydro-1-hydroxy-2,1-benzoxaborole molecular structure lightbox
CAS RN: 943311-66-8

6-[(4-Chlorophenyl)sulfinyl]-1,3-dihydro-1-hydroxy-2,1-benzoxaborole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS943311-66-8
  • Purity/Analytical Methods: >99.0%
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943311-66-8 / 6-(4-chlorophenyl)sulfinyl-1-hydroxy-3H-2,1-benzoxaborole

Standard CAS: 943311-66-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
943311-66-8
Multi CAS
No
Molecular Formula
C13H10BCLO3S
Molecular Weight
292.500000
Exact Mass
292.013223
InChI
InChI=1S/C13H10BClO3S/c15-10-2-5-11(6-3-10)19(17)12-4-1-9-8-18-14(16)13(9)7-12/h1-7,16H,8H2
InChIKey
MNAFJMBSTDIAKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.96
TPSA
46.53

LogP / Solubility

WLOGP
1.72
MLOGP
1.53
XLogP3
1.72
Consensus LogP
1.66
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-3.28

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
2

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