![CAS 325851-59-0 4-[(TETRAHYDRO-FURAN-2-YLMETHYL)-SULFAMOYL]-BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/325851-59-0.gif)
CAS RN: 325851-59-0
4-[(TETRAHYDRO-FURAN-2-YLMETHYL)-SULFAMOYL]-BENZOIC ACID
- Product code: SSC-138203
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 | Beijing | Inquiry |
325851-59-0 / 4-(oxolan-2-ylmethylsulfamoyl)benzoic acid
Basic Information
CAS
325851-59-0
Multi CAS
Yes
Molecular Formula
C12H15NO5S
Molecular Weight
285.320000
Exact Mass
285.067094
InChI
InChI=1S/C12H15NO5S/c14-12(15)9-3-5-11(6-4-9)19(16,17)13-8-10-2-1-7-18-10/h3-6,10,13H,1-2,7-8H2,(H,14,15)
InChIKey
VGMULOZGMOSVOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
67.56
TPSA
92.7
LogP / Solubility
WLOGP
0.84
MLOGP
0.75
XLogP3
0.8
Consensus LogP
0.8
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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