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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
53297-70-4 / 4-amino-3-methylbenzenesulfonamide
Basic Information
CAS
53297-70-4
Multi CAS
No
Molecular Formula
C7H10N2O2S
Molecular Weight
186.230000
Exact Mass
186.046299
InChI
InChI=1S/C7H10N2O2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKey
IGQGXIVCGKMRAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.96
TPSA
86.18
LogP / Solubility
WLOGP
0.22
MLOGP
0.2
XLogP3
-0.2
Consensus LogP
0.07
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
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)
-3.7
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
Customers Also Viewed
-
-
3′,6′-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
- CAS RN: 53299-21-1
- Product Code: starshine_CAS53299-21-1
- Purity/Analytical method: >99.0%
-
-
2′- 2′-[1,3-phenylenebis(oxy)]bis[5-nitro- (9CI)-Pyridine
- CAS RN: 53304-63-5
- Product Code: starshine_CAS53304-63-5
- Purity/Analytical method: >99.0%
-
-
1-CHLORO-N,N-DIMETHYL-2-PROPYLAMINE
- CAS RN: 53309-35-6
- Product Code: starshine_CAS53309-35-6
- Purity/Analytical method: >99.0%
![CAS 53299-21-1 3′,6′-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53299-21-1.gif)
![CAS 53299-66-4 5-methoxy-2-methylbenzo[b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53299-66-4.gif)
![CAS 53304-63-5 2′- 2′-[1,3-phenylenebis(oxy)]bis[5-nitro- (9CI)-Pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53304-63-5.gif)
