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CAS 893638-91-0 4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylmethanol(SALTDATA: FREE) molecular structure lightbox
CAS RN: 893638-91-0

4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylmethanol(SALTDATA: FREE)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS893638-91-0
  • Purity/Analytical Methods: >99.0%
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893638-91-0 / 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol

Standard CAS: 893638-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893638-91-0
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
InChI
InChI=1S/C8H11NO2/c10-5-7-6-3-1-2-4-8(6)11-9-7/h10H,1-5H2
InChIKey
CYPCPJLLNKCLRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.07
TPSA
46.26

LogP / Solubility

WLOGP
1.05
MLOGP
0.91
XLogP3
0.7
Consensus LogP
0.89
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-2.91

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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