CAS RN: 670280-13-4
3-(aminomethyl)benzenesulfonamide hydrochloride
- Product code: SSC-176695
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 |
670280-13-4 / 3-(aminomethyl)benzenesulfonamide;hydrochloride
Basic Information
CAS
670280-13-4
Multi CAS
Yes
Molecular Formula
C7H11CLN2O2S
Molecular Weight
222.690000
Exact Mass
222.022977
InChI
InChI=1S/C7H10N2O2S.ClH/c8-5-6-2-1-3-7(4-6)12(9,10)11;/h1-4H,5,8H2,(H2,9,10,11);1H
InChIKey
CMDWAIOSJPELDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.95
TPSA
86.18
LogP / Solubility
WLOGP
0.21
MLOGP
0.19
XLogP3
0.21
Consensus LogP
0.2
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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