![CAS 793690-04-7 6-([[4-(PYRROLIDIN-1-YLSULFONYL)PHENYL]SULFONYL]AMINO)HEXANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1353989.gif)
CAS RN: 793690-04-7
6-([[4-(PYRROLIDIN-1-YLSULFONYL)PHENYL]SULFONYL]AMINO)HEXANOIC ACID
- Product code: SSC-188555
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
793690-04-7 / 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]hexanoic acid
Basic Information
CAS
793690-04-7
Multi CAS
No
Molecular Formula
C16H24N2O6S2
Molecular Weight
404.500000
Exact Mass
404.107579
InChI
InChI=1S/C16H24N2O6S2/c19-16(20)6-2-1-3-11-17-25(21,22)14-7-9-15(10-8-14)26(23,24)18-12-4-5-13-18/h7-10,17H,1-6,11-13H2,(H,19,20)
InChIKey
WUYSAHQQHNINMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
95.73
TPSA
120.85
LogP / Solubility
WLOGP
1.39
MLOGP
1.25
XLogP3
1.1
Consensus LogP
1.25
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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