TL;DR: Texas Red-2-Sulfonamidoethyl Mercaptan (CAS 1258221-19-0) is a chemical compound with molecular formula C33H35N3O6S3 and molecular weight 665.1688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-(2-sulfanylethylsulfamoyl)benzenesulfonate
Also Known As: Texas Red-2-Sulfonamidoethyl Mercaptan, Texas Red?-2-Sulfonamidoethyl Mercaptan, Texas Red(R)-2-Sulfonamidoethyl Mercaptan, Texas Red®-2-Sulfonamidoethyl Mercaptan, 2-(3-Oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-(2-sulfanylethylsulfamoyl)benzenesulfonate
| Molecular Formula | C33H35N3O6S3 |
| Molecular Weight | 665.1688 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 665.1688 Da |
| Heavy Atoms | 45 |
| Complexity | 1510.0 |
| SMILES | C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)S(=O)(=O)NCCS)S(=O)(=O)[O-])CCC7 |
| InChIKey | QBUINQBVLJVORG-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Texas Red-2-Sulfonamidoethyl Mercaptan. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Texas Red-2-Sulfonamidoethyl Mercaptan. Following Lipinski's Rule of Five, Texas Red-2-Sulfonamidoethyl Mercaptan has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Texas Red-2-Sulfonamidoethyl Mercaptan is 1258221-19-0.
The molecular formula of Texas Red-2-Sulfonamidoethyl Mercaptan is C33H35N3O6S3.
The molecular weight of Texas Red-2-Sulfonamidoethyl Mercaptan is 665.1688 g/mol.
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