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CAS 62590-71-0 CHEMBRDG-BB 4015698 molecular structure lightbox
CAS RN: 62590-71-0

CHEMBRDG-BB 4015698

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250324 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS62590-71-0
  • Purity/Analytical Methods: >99.0%
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62590-71-0 / 2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol

Standard CAS: 62590-71-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62590-71-0
Multi CAS
Yes
Molecular Formula
C10H12O3
Molecular Weight
180.200000
Exact Mass
180.078644
InChI
InChI=1S/C10H12O3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8,11H,5-7H2
InChIKey
VRCHCDXHBXLNKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.06
TPSA
38.69

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
1.4
Consensus LogP
1.22
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-2.96

Drug-likeness / Medicinal Chemistry

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

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