TL;DR: Chemical Compound (C37H43N3O6S) (CAS 137550-88-0) is a chemical compound with molecular formula C37H43N3O6S and molecular weight 657.28723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
DAM-3
2-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
Also Known As: 2-(3-(5-Dimethylaminonaphthalene-1-sulfonyl)aminopropyl-1-oxyl)-4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carboxamido)benzoic acid, 2-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid, 2-(3-(((5-(Dimethylamino)-1-naphthalenyl)sulfonyl)amino)propoxy)-4-(((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl)amino)benzoic acid, 2-[3-[[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]amino]propoxy]-4-[[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalen)-2-yl]carbonyl]amino]benzoic acid, 2-{3-[5-(dimethylamino)naphthalene-1-sulfonamido]propoxy}-4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-amido)benzoic acid
| Molecular Formula | C37H43N3O6S |
| Molecular Weight | 657.28723 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 657.28723 Da |
| Heavy Atoms | 47 |
| Complexity | 1200.0 |
| SMILES | CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)OCCCNS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)(C)C)C |
| InChIKey | KZJWLTIWBMCWGR-UHFFFAOYSA-N |
The XLogP value of 7.8 indicates that Chemical Compound (C37H43N3O6S) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chemical Compound (C37H43N3O6S). Following Lipinski's Rule of Five, Chemical Compound (C37H43N3O6S) has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Chemical Compound (C37H43N3O6S) is 137550-88-0.
The molecular formula of Chemical Compound (C37H43N3O6S) is C37H43N3O6S.
The molecular weight of Chemical Compound (C37H43N3O6S) is 657.28723 g/mol.
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