![CAS 790272-41-2 (3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPINE-7-SULFONYLAMINO)-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0276869.gif)
CAS RN: 790272-41-2
(3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPINE-7-SULFONYLAMINO)-ACETIC ACID
- Product code: SSC-188251
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
790272-41-2 / 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetic acid
Basic Information
CAS
790272-41-2
Multi CAS
No
Molecular Formula
C11H13NO6S
Molecular Weight
287.290000
Exact Mass
287.046358
InChI
InChI=1S/C11H13NO6S/c13-11(14)7-12-19(15,16)8-2-3-9-10(6-8)18-5-1-4-17-9/h2-3,6,12H,1,4-5,7H2,(H,13,14)
InChIKey
ZVINSZVTNOMIMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
64.87
TPSA
101.93
LogP / Solubility
WLOGP
0.21
MLOGP
0.2
XLogP3
0.6
Consensus LogP
0.34
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-4.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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