![CAS 871547-65-8 3-[[4-(AMINOSULFONYL)-2-NITROPHENYL]AMINO]PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2206736.gif)
CAS RN: 871547-65-8
3-[[4-(AMINOSULFONYL)-2-NITROPHENYL]AMINO]PROPANOIC ACID
- Product code: SSC-196788
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 |
871547-65-8 / 2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide
Basic Information
CAS
871547-65-8
Multi CAS
Yes
Molecular Formula
C11H11N3OS
Molecular Weight
233.290000
Exact Mass
233.062283
InChI
InChI=1S/C11H11N3OS/c12-14-10(15)6-11-13-9(7-16-11)8-4-2-1-3-5-8/h1-5,7H,6,12H2,(H,14,15)
InChIKey
HMSHIOWVUCPJNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.58
TPSA
68.01
LogP / Solubility
WLOGP
1.34
MLOGP
1.19
XLogP3
1.1
Consensus LogP
1.21
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
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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