![3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid structure](/static/products/1009/1009005-27-9.webp)
3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid
TL;DR: 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid (CAS 1009005-27-9) is a chemical compound with molecular formula C21H22N4O7S and molecular weight 474.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-indol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propanoic acid
Also Known As: 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid, (4-(Morpholinosulfonyl)-2-nitrophenyl)tryptophan, 3-(1H-Indol-3-yl)-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-propionic acid, 3-(1H-indol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propanoic acid,
3-(1H-Indol-3-yl)-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-propion ic acid
| Molecular Formula | C21H22N4O7S |
|---|---|
| Molecular Weight | 474.12 g/mol |
| LogP | 2.2048 |
| Topological Polar Surface Area | 154.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.1209 |
| Heavy Atoms | 33 |
| Complexity | 1298.9404 |
Chemical Identifiers
| CAS Number | 1009005-27-9 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NC(CC3=CNC4=CC=CC=C43)C(=O)O)[N+](=O)[O-] |
Product Overview
3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid (CAS 1009005-27-9), with molecular formula C21H22N4O7S and molecular weight 474.12 g/mol. IUPAC: 3-(1H-indol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propanoic acid.
Chemical Property Profile of 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid
Property Insights of 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid
The XLogP value of 2.2048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid. The TPSA of 154.87 Ų indicates high polarity, suggesting 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid?
The CAS number of 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid is 1009005-27-9.
What is the molecular formula of 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid?
The molecular formula of 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid is C21H22N4O7S.
What is the molecular weight of 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid?
The molecular weight of 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid is 474.12 g/mol.
Where can I buy 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid?
You can request a quote for 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-indol-3-yl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.