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CAS 74328-61-3 7-CARBOXY-1-HEPTANETHIOL molecular structure lightbox
CAS RN: 74328-61-3

7-CARBOXY-1-HEPTANETHIOL

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250222 100mg In stock Shanghai Inquiry
Batchno.20260301 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250102 250mg In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250202 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260224 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS74328-61-3
  • Purity/Analytical Methods: >99.0%
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74328-61-3 / 8-sulfanyloctanoic acid

Standard CAS: 74328-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74328-61-3
Multi CAS
No
Molecular Formula
C8H16O2S
Molecular Weight
176.280000
Exact Mass
176.087101
InChI
InChI=1S/C8H16O2S/c9-8(10)6-4-2-1-3-5-7-11/h11H,1-7H2,(H,9,10)
InChIKey
FYEMIKRWWMYBFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.19
TPSA
37.3

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
0.9
Consensus LogP
1.77
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly 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)
-2.13

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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