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CAS 4702-32-3 DL-ISOCITRIC ACID LACTONE molecular structure lightbox
CAS RN: 4702-32-3

DL-ISOCITRIC ACID LACTONE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260120 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250425 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260504 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250724 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260115 5g Out of stock Inquiry
  • Product code: starshine_CAS4702-32-3
  • Purity/Analytical Methods: >99.0%
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4702-32-3 / 5-oxooxolane-2,3-dicarboxylic acid

Standard CAS: 4702-32-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4702-32-3
Multi CAS
Yes
Molecular Formula
C6H6O6
Molecular Weight
174.110000
Exact Mass
174.016438
InChI
InChI=1S/C6H6O6/c7-3-1-2(5(8)9)4(12-3)6(10)11/h2,4H,1H2,(H,8,9)(H,10,11)
InChIKey
UKZDIMBDWHZXOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
33.26
TPSA
100.9

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.81
XLogP3
-1
Consensus LogP
-0.91
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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