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CAS 27738-46-1 1,3-BENZODIOXOLE-5-GLYCOLIC ACID molecular structure lightbox
CAS RN: 27738-46-1

1,3-BENZODIOXOLE-5-GLYCOLIC ACID

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250715 1g In stock Shanghai Inquiry
Batchno.20250821 250mg In stock Shanghai Inquiry
Batchno.20250503 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20250811 25g In stock Shanghai Inquiry
Batchno.20260327 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS27738-46-1
  • Purity/Analytical Methods: >99.0%
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27738-46-1 / 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetic acid

Standard CAS: 27738-46-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27738-46-1
Multi CAS
Yes
Molecular Formula
C9H8O5
Molecular Weight
196.160000
Exact Mass
196.037173
InChI
InChI=1S/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12)
InChIKey
CLUJFRCEPFNVHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.16
TPSA
75.99

LogP / Solubility

WLOGP
0.53
MLOGP
0.47
XLogP3
0.8
Consensus LogP
0.6
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.54

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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