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CAS 208243-72-5 1,2-Dithiolane-4-carboxylic acid, 4-methyl- molecular structure lightbox
CAS RN: 208243-72-5

1,2-Dithiolane-4-carboxylic acid, 4-methyl-

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7 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250913 1g Out of stock 5-7 business days Inquiry
Batchno.20250808 1g Out of stock Inquiry
Batchno.20250506 250mg In stock Shanghai, Guangdong Inquiry
Batchno.20250511 250mg Out of stock Inquiry
Batchno.20250128 50mg In stock Shanghai Inquiry
Batchno.20251217 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260630 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS208243-72-5
  • Purity/Analytical Methods: >99.0%
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208243-72-5 / 4-methyldithiolane-4-carboxylic acid

Standard CAS: 208243-72-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208243-72-5
Multi CAS
No
Molecular Formula
C5H8O2S2
Molecular Weight
164.300000
Exact Mass
163.996572
SMILES
CC1(CSSC1)C(=O)O
InChI
InChI=1S/C5H8O2S2/c1-5(4(6)7)2-8-9-3-5/h2-3H2,1H3,(H,6,7)
InChIKey
CDYNUBURGFMPLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.66
TPSA
37.3

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
0.6
Consensus LogP
1.12
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.97
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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