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 | Hong Kong | Inquiry |
2297-06-5 / methyl 4-amino-2-sulfamoylbenzoate
Basic Information
CAS
2297-06-5
Multi CAS
No
Molecular Formula
C8H10N2O4S
Molecular Weight
230.240000
Exact Mass
230.036128
SMILES
COC(=O)C1=C(C=C(C=C1)N)S(=O)(=O)N
InChI
InChI=1S/C8H10N2O4S/c1-14-8(11)6-3-2-5(9)4-7(6)15(10,12)13/h2-4H,9H2,1H3,(H2,10,12,13)
InChIKey
UCCAGURECWZRSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
53.57
TPSA
112.48
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.26
XLogP3
0.3
Consensus LogP
-0.09
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
Class (SILICOS-IT)
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)
-4.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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AC-TYR-NHNH2
- CAS RN: 2381-07-9
- Product Code: starshine_CAS2381-07-9
- Purity/Analytical method: >99.0%
