CAS RN: 52000-32-5
7-mercaptoheptanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260609 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52000-32-5
- Purity/Analytical Methods: >99.0%
52000-32-5 / 7-sulfanylheptanoic acid
Basic Information
CAS
52000-32-5
Multi CAS
No
Molecular Formula
C7H14O2S
Molecular Weight
162.250000
Exact Mass
162.071451
InChI
InChI=1S/C7H14O2S/c8-7(9)5-3-1-2-4-6-10/h10H,1-6H2,(H,8,9)
InChIKey
AZJTUYPIWZAMTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.57
TPSA
37.3
LogP / Solubility
WLOGP
1.95
MLOGP
1.71
XLogP3
0.5
Consensus LogP
1.39
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.32
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
