![2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid structure](/static/products/1377/137757-03-0.webp)
2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
TL;DR: 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid (CAS 137757-03-0) is a chemical compound with molecular formula C48H64N4O7S and molecular weight 840.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
Also Known As: 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid, 2-(Aminopropyl-1-oxyl)-4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carboxamido)benzoic acid, 2-(3-{11-[5-(dimethylamino)naphthalene-1-sulfonamido]undecanamido}propoxy)-4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-amido)benzoic acid, 2-(3-{11-[5-(Dimethylamino)naphthalene-1-sulfonamido]undecanamido}propoxy)-4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamido)benzoic acid, 2-[3-[[11-[[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]amino]-1-oxoundecyl]amino]propoxy]-4-[[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalen)-2-yl]carbonyl]amino]benzoic acid
| Molecular Formula | C48H64N4O7S |
|---|---|
| Molecular Weight | 840.45 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 840.4496 |
| Heavy Atoms | 60 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 137757-03-0 |
|---|---|
| SMILES | CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)OCCCNC(=O)CCCCCCCCCCNS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)(C)C)C |
| InChIKey | XNMARPWJSQWVGC-UHFFFAOYSA-N |
Product Overview
2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid (CAS 137757-03-0), with molecular formula C48H64N4O7S and molecular weight 840.45 g/mol. IUPAC: 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid.
Chemical Property Profile of 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
Property Insights of 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
The XLogP value of 10.8 indicates that 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid?
The CAS number of 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid is 137757-03-0.
What is the molecular formula of 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid?
The molecular formula of 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid is C48H64N4O7S.
What is the molecular weight of 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid?
The molecular weight of 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid is 840.45 g/mol.
Where can I buy 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid?
You can request a quote for 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.